UCSF

ZINC19889831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 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) 2.09 4.96 -34.08 1 5 1 29 334.484 5
Mid Mid (pH 6-8) 2.09 5.11 -34.4 1 5 1 29 334.484 5
Mid Mid (pH 6-8) 2.09 7.35 -100.86 2 5 2 31 335.492 5

Activity (Go SEA)

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