UCSF

ZINC34234007

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 37 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) 4.89 14.27 -47.03 2 8 1 88 534.073 18
Mid Mid (pH 6-8) 4.89 11.79 -13.54 1 8 0 86 533.065 18

Activity (Go SEA)

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