UCSF

ZINC34377865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) 7.19 14.67 -7.19 0 3 0 22 465.637 5
Mid Mid (pH 6-8) 7.19 16.72 -41.4 1 3 1 23 466.645 5

Activity (Go SEA)

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