UCSF

ZINC17045255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 31 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) 4.35 9.44 -57.55 0 6 -1 79 463.337 8
Mid Mid (pH 6-8) 3.77 9.65 -13.09 0 6 0 73 464.345 8
Lo Low (pH 4.5-6) 4.35 8.62 -16.52 1 6 0 76 464.345 8

Activity (Go SEA)

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