UCSF

ZINC32101109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.53 3.64 -47.22 4 3 1 57 244.314 5
Hi High (pH 8-9.5) 1.53 3.27 -7.99 3 3 0 55 243.306 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0654534A2; EP0654534A3; EP0654534B1; EP0924193A1; EP0924194A2; EP0939134A1; US5629200; US5811293; US6114582 IBM Patent Data

Activity (Go SEA)

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