UCSF

ZINC37096948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.79 6.66 -116.84 4 4 2 51 280.412 8
Mid Mid (pH 6-8) 1.79 4.25 -45.29 3 4 1 49 279.404 8
Mid Mid (pH 6-8) 1.79 6.34 -28.33 3 4 1 49 279.404 8

Activity (Go SEA)

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