UCSF

ZINC30819405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) -0.43 7.78 -69.84 0 8 -1 95 416.429 4
Mid Mid (pH 6-8) -3.17 6.82 -31.85 1 8 0 98 417.437 3

Activity (Go SEA)

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