UCSF

ZINC13991062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 20 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) 1.59 6.3 -32.83 2 3 1 38 279.31 6
Lo Low (pH 4.5-6) 1.59 6.64 -102.51 3 3 2 39 280.318 6

Activity (Go SEA)

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