UCSF

ZINC53096335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.96 5.38 -9.74 2 4 0 50 298.386 7
Mid Mid (pH 6-8) 2.96 6.74 -46.76 3 4 1 55 299.394 7

Activity (Go SEA)

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