UCSF

ZINC34594394

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 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) 4.53 14.99 -47.14 1 5 1 56 476.597 6
Hi High (pH 8-9.5) 4.53 12.73 -15.9 0 5 0 55 475.589 6
Mid Mid (pH 6-8) 4.53 15.38 -98.45 2 5 2 57 477.605 6

Activity (Go SEA)

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