UCSF

ZINC13436579

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 No

CAS Number: 93919-41-6

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) -4.55 -1.15 -376.57 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -4.55 -2.31 -237.98 5 18 -3 287 504.158 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.59e+00 g/l DrugBank-experimental

Activity (Go SEA)

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