UCSF

ZINC19688366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 1.12 1.59 -47.95 4 4 1 60 240.371 3
Mid Mid (pH 6-8) 1.12 3.5 -38.3 4 4 1 60 240.371 3
Lo Low (pH 4.5-6) 1.12 3.84 -106.42 5 4 2 61 241.379 3

Activity (Go SEA)

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