UCSF

ZINC05929383

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) -0.95 -0.19 -13.61 5 8 0 130 277.284 2
Lo Low (pH 4.5-6) -0.95 -4.34 -34.3 6 8 1 132 278.292 2

Activity (Go SEA)

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