UCSF

ZINC06548293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 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) -1.20 3.91 -46.77 3 5 0 94 267.288 3
Lo Low (pH 4.5-6) -1.20 4.3 -70.19 4 5 1 95 268.296 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.21e-01 g/l DrugBank-experimental

Activity (Go SEA)

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