UCSF

ZINC11616987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 20 Yes

CAS Number: 25387-70-6

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) 1.38 -4.48 -27.95 3 4 1 59 288.758 3
Lo Low (pH 4.5-6) 1.38 -4.39 -90.84 4 4 2 60 289.766 3

Activity (Go SEA)

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