UCSF

ZINC34667938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 1.23 2.47 -10.75 2 6 0 69 306.41 5
Mid Mid (pH 6-8) 1.23 2.79 -34.46 3 6 1 70 307.418 5
Mid Mid (pH 6-8) 1.23 4.74 -42.16 3 6 1 70 307.418 5
Lo Low (pH 4.5-6) 1.23 5.08 -97 4 6 2 71 308.426 5

Activity (Go SEA)

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