UCSF

ZINC04145079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 20 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) 2.47 5.68 -8.76 1 4 0 47 292.404 7
Lo Low (pH 4.5-6) 2.47 6.17 -28.24 2 4 1 49 293.412 7

Activity (Go SEA)

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