UCSF

ZINC12503043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 No

CAS Number: 7597-18-4

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) 1.68 3.12 -44.79 1 5 1 72 164.144 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.48e+00 g/l DrugBank-experimental

Activity (Go SEA)

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