UCSF

ZINC37049023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.33 4.72 -111.08 4 4 2 45 297.418 6
Mid Mid (pH 6-8) 1.33 4.99 -99.05 4 4 2 45 297.418 6
Mid Mid (pH 6-8) 1.33 2.74 -47.53 3 4 1 43 296.41 6

Activity (Go SEA)

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