UCSF

ZINC34471237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 35 No

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) -0.44 8.58 -31.47 5 13 0 184 504.44 11
Mid Mid (pH 6-8) -0.44 8.85 -55.56 6 13 1 188 505.448 11
Mid Mid (pH 6-8) -0.44 8.78 -55.75 6 13 1 188 505.448 11

Activity (Go SEA)

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