UCSF

ZINC39510202

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 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) 0.47 0.06 -10.83 1 7 0 64 366.458 8
Mid Mid (pH 6-8) 0.47 2.33 -43.9 2 7 1 65 367.466 8
Lo Low (pH 4.5-6) 0.47 4.59 -90.51 3 7 2 66 368.474 8

Activity (Go SEA)

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