UCSF

ZINC42077181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 2.07 7.46 -10.44 0 4 0 52 286.718 3
Lo Low (pH 4.5-6) 2.07 7.91 -42.1 1 4 1 53 287.726 3

Activity (Go SEA)

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