UCSF

ZINC34566314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 0.74 3.63 -48.54 3 3 1 55 216.308 2
Mid Mid (pH 6-8) 0.74 5.55 -42.36 3 3 1 54 216.308 2

Activity (Go SEA)

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