UCSF

ZINC19823088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 2.55 6.46 -39.66 2 3 1 28 283.395 4
Mid Mid (pH 6-8) 2.55 6.52 -40.75 2 3 1 28 283.395 4
Mid Mid (pH 6-8) 2.55 4.14 -6.85 1 3 0 27 282.387 4

Activity (Go SEA)

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