UCSF

ZINC12503232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 13 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) -2.86 -4.18 -98.21 3 7 -2 141 192.123 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.60e+02 g/l DrugBank-experimental

Activity (Go SEA)

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