UCSF

ZINC36883442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 11 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) -0.22 -0.43 -41.66 3 3 1 40 161.269 7
Mid Mid (pH 6-8) -0.22 1.74 -30.25 3 3 1 40 161.269 7

Activity (Go SEA)

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