UCSF

ZINC04097283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 27 No

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) 0.83 -9.67 -41.28 6 8 1 123 407.553 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.93e+01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0026746A1; EP0110955A1; EP0110955B1; EP0114787A2; EP0114787B1; EP0197718A2; EP0197718B1; EP0219407A1; EP0234004A2; EP0234004B1; EP0243015B1; EP0280703A1; EP0280703B1; EP0315534A2; EP0315534B1; EP0315535A2; EP0315535B1; EP0315536A2; EP0315536B1; EP031553 IBM Patent Data

Activity (Go SEA)

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