UCSF

ZINC37819244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.29 4.29 -93.27 4 6 2 73 286.42 6
Hi High (pH 8-9.5) -0.29 1.6 -9.84 2 6 0 70 284.404 6
Mid Mid (pH 6-8) -0.29 3.95 -43.89 3 6 1 71 285.412 6

Activity (Go SEA)

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