UCSF

ZINC08830574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) -5.70 -19.18 -298.3 19 15 4 289 488.535 6
Hi High (pH 8-9.5) -5.70 -19.84 -122.57 17 15 2 286 486.519 6
Hi High (pH 8-9.5) -5.70 -19.96 -107.81 17 15 2 286 486.519 6
Mid Mid (pH 6-8) -5.70 -19.61 -209.68 18 15 3 287 487.527 6

Activity (Go SEA)

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