UCSF

ZINC40459211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 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) 2.12 2.48 -7.18 1 4 0 42 265.353 6
Mid Mid (pH 6-8) 2.12 4.75 -40.71 2 4 1 43 266.361 6

Activity (Go SEA)

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