UCSF

ZINC39310150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 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) 6.72 14.57 -43.55 0 2 -1 40 305.482 11
Lo Low (pH 4.5-6) 6.72 12.57 -5.14 1 2 0 37 306.49 11

Activity (Go SEA)

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