UCSF

ZINC37025297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 9 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) 0.84 3.34 -39.02 2 3 1 43 132.183 5
Mid Mid (pH 6-8) 0.84 1.9 -4.78 1 3 0 38 131.175 5

Activity (Go SEA)

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