UCSF

ZINC06641313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 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) 2.28 1.18 -35.93 2 9 -1 144 338.683 4
Hi High (pH 8-9.5) 2.28 2.1 -89.96 1 9 -2 147 337.675 4
Mid Mid (pH 6-8) 1.82 2.85 -17.01 3 9 0 141 339.691 4

Activity (Go SEA)

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