UCSF

ZINC03033224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 33 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) 6.10 12.44 -12.8 1 4 0 55 429.523 5
Mid Mid (pH 6-8) 6.16 11.13 -40.52 2 4 1 60 430.531 5

Activity (Go SEA)

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