UCSF

ZINC34667296

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 1.39 4.65 -12.14 1 6 0 62 382.476 9
Mid Mid (pH 6-8) 1.39 6.97 -48.11 2 6 1 63 383.484 9

Activity (Go SEA)

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