UCSF

ZINC34668405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 4.88 11.74 -12.26 1 4 0 36 471.498 7
Mid Mid (pH 6-8) 4.88 13.95 -42.54 2 4 1 37 472.506 7

Activity (Go SEA)

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