UCSF

ZINC00050272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 1.72 10.37 -8.77 0 9 0 76 336.396 3
Lo Low (pH 4.5-6) 1.72 10.59 -27.52 1 9 1 77 337.404 3

Activity (Go SEA)

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