UCSF

ZINC44686871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 Yes

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) 1.19 4.03 -39.85 2 3 1 23 248.394 4
Hi High (pH 8-9.5) 1.19 2.99 -2.53 1 3 0 19 247.386 4
Mid Mid (pH 6-8) 1.19 5.33 -33.24 2 3 1 20 248.394 4
Mid Mid (pH 6-8) 1.19 7.62 -81.3 3 3 2 21 249.402 4
Lo Low (pH 4.5-6) 1.19 8.64 -193.79 4 3 3 25 250.41 4

Activity (Go SEA)

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