UCSF

ZINC56960488

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 9 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) 0.94 0.87 -32.96 3 2 1 29 129.227 1
Lo Low (pH 4.5-6) 0.94 2.15 -107.87 4 2 2 33 130.235 1
Lo Low (pH 4.5-6) 0.94 1 -34.91 3 2 1 29 129.227 1

Activity (Go SEA)

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