UCSF

ZINC05581534

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 17 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) 1.77 4.71 -15.86 2 3 0 52 239.303 1
Lo Low (pH 4.5-6) 1.94 4.81 -31.89 2 3 1 51 240.311 1
Lo Low (pH 4.5-6) 1.77 5.28 -35.65 3 3 1 53 240.311 1

Activity (Go SEA)

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