UCSF

ZINC03953394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 21 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) 5.45 10.46 -24.81 1 2 1 23 272.327 2
Hi High (pH 8-9.5) 5.45 10.08 -8.75 0 2 0 22 271.319 2

Activity (Go SEA)

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