UCSF

ZINC13436567

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 No

CAS Number: 102783-74-4

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) -3.73 -1.01 -258.7 4 15 -3 241 424.179 6
Mid Mid (pH 6-8) -3.73 -2.17 -138.24 5 15 -2 238 425.187 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.60e+00 g/l DrugBank-experimental

Activity (Go SEA)

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