UCSF

ZINC13751239

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 26 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) 6.57 16 -7.54 1 3 0 32 347.506 9
Mid Mid (pH 6-8) 6.57 16.39 -25.78 2 3 1 33 348.514 9

Activity (Go SEA)

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