UCSF

ZINC46216251

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 17 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) 1.54 5.79 -10.82 1 4 0 42 234.299 3
Lo Low (pH 4.5-6) 1.54 6.24 -45.38 2 4 1 43 235.307 3

Activity (Go SEA)

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