UCSF

ZINC01271952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 23 No

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) 1.92 4.48 -45.09 0 6 -1 80 310.333 3
Ref Reference (pH 7) 1.92 4.53 -44.93 0 6 -1 80 310.333 3
Mid Mid (pH 6-8) 1.46 6.96 -9.6 1 6 0 77 311.341 3

Activity (Go SEA)

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