UCSF

ZINC15033701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 25 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) 3.52 7.8 -17.18 2 5 0 61 357.479 5
Mid Mid (pH 6-8) 3.52 9.5 -46.47 3 5 1 63 358.487 5

Activity (Go SEA)

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