UCSF

ZINC13235351

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 13 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) 2.89 6.83 -4.92 0 1 0 13 169.227 1
Lo Low (pH 4.5-6) 2.89 7.11 -33.14 1 1 1 14 170.235 1

Activity (Go SEA)

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