UCSF

ZINC34691356

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 0.89 3.37 -15.93 1 8 0 81 424.538 12
Mid Mid (pH 6-8) 0.89 5.68 -51.56 2 8 1 82 425.546 12

Activity (Go SEA)

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