UCSF

ZINC49573665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 33 Yes

Popular Name: N-[3-[(4aS,7aR)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aS,7aR)-1-cyclopentyl-4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 3.19 -29.75 1 10 0 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.97 -219.7 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.8 -23.4 0 10 0 146 492.579 4 ↓
Mid Mid (pH 6-8) 1.44 2.63 -26.68 1 10 0 144 493.587 4 ↓
Mid Mid (pH 6-8) 2.02 3.31 -109.78 1 10 -2 150 492.579 4 ↓
Lo Low (pH 4.5-6) 1.44 3.03 -28.27 2 10 0 142 494.595 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )