UCSF

ZINC40479438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 15 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) 1.07 3.41 -5.1 0 3 0 25 206.289 3
Mid Mid (pH 6-8) 1.07 5.68 -43.01 1 3 1 27 207.297 3

Activity (Go SEA)

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