UCSF

ZINC40973226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 27 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) 2.93 4.65 -48.73 2 6 -1 103 369.393 0
Mid Mid (pH 6-8) 2.93 3.9 -14.53 3 6 0 100 370.401 0

Activity (Go SEA)

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