UCSF

ZINC38610392

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 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) 3.61 7.7 -24.85 4 8 0 122 488.931 7
Mid Mid (pH 6-8) 3.61 8.49 -63.1 3 8 -1 124 487.923 7

Activity (Go SEA)

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