UCSF

ZINC26501663

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 2.52 4.44 -12.57 2 7 0 93 356.407 6
Mid Mid (pH 6-8) 2.52 4.5 -27.74 2 7 0 97 356.407 6
Mid Mid (pH 6-8) 2.52 4.39 -42.14 1 7 -1 95 355.399 6
Lo Low (pH 4.5-6) 2.52 4.91 -40.65 3 7 1 94 357.415 6

Activity (Go SEA)

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