UCSF

ZINC34667328

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 0.74 3.11 -13.28 1 7 0 71 392.496 12
Mid Mid (pH 6-8) 0.74 5.44 -55.93 2 7 1 73 393.504 12

Activity (Go SEA)

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