UCSF

ZINC00388081

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 8 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) -0.85 0.83 -50.52 4 3 1 56 112.156 2
Mid Mid (pH 6-8) -0.85 1.34 -96.78 5 3 2 58 113.164 2

Activity (Go SEA)

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