UCSF

ZINC34623293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 3.21 5.6 -6.4 1 3 0 47 216.321 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0707590A1; EP0707590B1; US4263427; US4294925; US4789745; US5220008; US5254676; US5276143; US5312903; US5489675; US5512470; WO1995001986A1 IBM Patent Data

Activity (Go SEA)

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