UCSF

ZINC08217403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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 -21.14 -301.73 19 15 4 289 488.535 6
Hi High (pH 8-9.5) -5.70 -21.6 -131.61 17 15 2 286 486.519 6
Hi High (pH 8-9.5) -5.70 -21.86 -103.31 17 15 2 286 486.519 6
Mid Mid (pH 6-8) -5.70 -21.44 -224.53 18 15 3 287 487.527 6

Activity (Go SEA)

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