UCSF

ZINC13582835

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 33 No

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) 3.05 10.9 -72.78 1 9 0 120 453.495 9
Mid Mid (pH 6-8) 3.49 9.78 -63.41 2 9 1 117 454.503 8

Activity (Go SEA)

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