UCSF

ZINC34667851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 4.50 10.45 -11.65 1 5 0 48 458.459 6
Mid Mid (pH 6-8) 4.50 12.65 -44.25 2 5 1 50 459.467 6

Activity (Go SEA)

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