UCSF

ZINC28114714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 27 No

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) 3.22 5.93 -52.66 1 7 -1 102 380.405 2
Lo Low (pH 4.5-6) 2.04 5.45 -50.68 3 7 1 101 382.421 2
Lo Low (pH 4.5-6) 2.22 3.89 -22.36 2 7 0 103 381.413 1

Activity (Go SEA)

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