UCSF

ZINC42742343

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.16 6.16 -115.45 4 2 2 32 242.451 4
Mid Mid (pH 6-8) 3.16 4.68 -40.24 3 2 1 31 241.443 4

Activity (Go SEA)

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