UCSF

ZINC09444231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 29 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) 4.31 4.29 -14.13 2 7 0 102 497.392 7
Hi High (pH 8-9.5) 4.31 4.37 -42.71 1 7 -1 104 496.384 7
Hi High (pH 8-9.5) 4.31 4.39 -40.15 1 7 -1 104 496.384 7
Hi High (pH 8-9.5) 4.31 4.48 -94.68 0 7 -2 106 495.376 7

Activity (Go SEA)

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