UCSF

ZINC53664529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.85 8.64 -80.57 3 4 2 47 264.417 5
Mid Mid (pH 6-8) 1.85 8.22 -47.12 2 4 1 46 263.409 5

Activity (Go SEA)

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