UCSF

ZINC33809197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 19 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) 5.35 11.13 -34.59 1 2 1 14 264.433 10
Hi High (pH 8-9.5) 5.35 8.77 -3.28 0 2 0 12 263.425 10

Activity (Go SEA)

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