UCSF

ZINC34536747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 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) -1.67 0.46 -47.95 3 5 1 74 161.181 4
Mid Mid (pH 6-8) -1.67 0.07 -11.88 2 5 0 73 160.173 4

Activity (Go SEA)

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