UCSF

ZINC31493751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 32 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) 3.85 11.03 -38.2 1 7 1 69 462.014 7
Mid Mid (pH 6-8) 3.85 10.66 -11.65 0 7 0 68 461.006 7

Activity (Go SEA)

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