UCSF

ZINC52547219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 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) 2.21 5.12 -31.15 2 3 1 29 231.404 10
Hi High (pH 8-9.5) 2.21 3.71 -1.77 1 3 0 24 230.396 10
Mid Mid (pH 6-8) 2.21 6.16 -97.43 3 3 2 30 232.412 10

Activity (Go SEA)

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