UCSF

ZINC34222722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 0.10 7.86 -62.6 1 6 -1 86 365.768 3
Mid Mid (pH 6-8) 0.10 5.86 -13.83 2 6 0 83 366.776 3

Activity (Go SEA)

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