UCSF

ZINC31996476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 1.79 2.38 -42.49 3 2 1 31 171.308 5
Lo Low (pH 4.5-6) 1.79 4.9 -112.02 4 2 2 32 172.316 5

Activity (Go SEA)

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