UCSF

ZINC08919387

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 35 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) 2.35 4.38 -66.37 0 9 -1 101 481.525 9
Mid Mid (pH 6-8) 1.77 -1.07 -49.81 1 9 1 95 483.541 9
Mid Mid (pH 6-8) 2.35 6.72 -80.45 1 9 0 102 482.533 9

Activity (Go SEA)

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