UCSF

ZINC23303148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 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) 3.79 11.08 -128.99 4 4 2 50 373.928 7
Mid Mid (pH 6-8) 3.79 10.13 -40.7 3 4 1 46 372.92 7

Activity (Go SEA)

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