UCSF

ZINC36635269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 No

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) 0.93 8.37 -45.02 2 7 1 86 359.431 7
Mid Mid (pH 6-8) 0.93 7.86 -17.18 1 7 0 84 358.423 7

Activity (Go SEA)

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