UCSF

ZINC33767997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 16 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) 1.43 2.3 -42.6 5 3 1 71 215.276 3
Mid Mid (pH 6-8) 1.43 2.09 -9.98 4 3 0 69 214.268 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.26e-01 g/l DrugBank-experimental

Activity (Go SEA)

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