UCSF

ZINC39334050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.58 8.72 -64.05 0 4 -1 62 262.672 1
Lo Low (pH 4.5-6) -0.86 6.88 -34.79 1 4 0 64 263.68 1

Activity (Go SEA)

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