UCSF

ZINC08649112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 27 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) 6.55 14.37 -10.14 1 2 0 29 346.433 3
Mid Mid (pH 6-8) 6.55 14.5 -26.9 2 2 1 30 347.441 3
Mid Mid (pH 6-8) 6.55 14.44 -26.76 2 2 1 30 347.441 3

Activity (Go SEA)

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