UCSF

ZINC34542349

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 2.83 4.95 -7.03 2 2 0 39 186.258 0
Mid Mid (pH 6-8) 2.83 5.25 -26.74 3 2 1 40 187.266 0

Activity (Go SEA)

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