UCSF

ZINC09240737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 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) 4.35 0.15 -13.52 0 6 0 76 425.469 2
Lo Low (pH 4.5-6) 4.35 0.33 -30.8 1 6 1 77 426.477 2

Activity (Go SEA)

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