UCSF

ZINC37996536

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 0.73 1.17 -52.09 5 5 1 91 240.327 2
Mid Mid (pH 6-8) 0.73 0.97 -14.09 4 5 0 89 239.319 2

Activity (Go SEA)

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