UCSF

ZINC44684342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 1.81 4.83 -35.14 2 2 1 20 195.33 4
Hi High (pH 8-9.5) 1.81 3.82 -0.83 1 2 0 15 194.322 4
Mid Mid (pH 6-8) 1.81 7.17 -103.42 3 2 2 21 196.338 4
Mid Mid (pH 6-8) 1.81 6.15 -30.4 2 2 1 16 195.33 4

Activity (Go SEA)

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