UCSF

ZINC12231496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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) 0.58 0.04 -16.4 2 10 0 123 359.39 5
Mid Mid (pH 6-8) 0.58 0.2 -36.47 3 10 1 124 360.398 5

Activity (Go SEA)

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