UCSF

ZINC45688227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 3.33 7.31 -91.28 3 3 2 24 259.482 11
Hi High (pH 8-9.5) 3.33 4.83 -37.38 2 3 1 23 258.474 11

Activity (Go SEA)

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