UCSF

ZINC65319291

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 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) 4.47 10.53 -15.37 1 6 0 57 411.527 9
Lo Low (pH 4.5-6) 4.47 11.1 -43.42 2 6 1 62 412.535 9

Activity (Go SEA)

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