UCSF

ZINC23115246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 15 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) 2.52 5.27 -39.68 2 2 1 25 291.234 3
Hi High (pH 8-9.5) 2.52 2.93 -5.18 1 2 0 23 290.226 3

Activity (Go SEA)

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