UCSF

ZINC08436057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 23 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) 3.26 9.79 -52.62 2 3 1 39 305.401 7
Lo Low (pH 4.5-6) 3.26 10.07 -109.99 3 3 2 40 306.409 7

Activity (Go SEA)

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