UCSF

ZINC34470158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 25 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) 1.58 0.98 -35.77 5 6 1 89 363.563 16
Mid Mid (pH 6-8) 1.58 2.88 -105.03 6 6 2 90 364.571 16

Activity (Go SEA)

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