UCSF

ZINC37223143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -0.48 1.53 -50.05 3 4 1 51 202.322 7
Mid Mid (pH 6-8) -0.48 3.2 -34.81 3 4 1 51 202.322 7

Activity (Go SEA)

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