UCSF

ZINC22585986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.57 9.71 -88.64 2 3 2 12 289.467 5
Hi High (pH 8-9.5) 2.57 5.15 -2.16 0 3 0 10 287.451 5
Mid Mid (pH 6-8) 2.57 7.33 -33.87 1 3 1 11 288.459 5

Activity (Go SEA)

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