UCSF

ZINC13555266

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 0.78 7.9 -46.66 3 9 0 141 424.409 6
Mid Mid (pH 6-8) 0.78 6.56 -48.64 2 9 -1 136 423.401 6

Activity (Go SEA)

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