UCSF

ZINC39914028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 28 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) 3.76 6.72 -11.96 2 6 0 78 397.862 5
Mid Mid (pH 6-8) 3.76 7.49 -49.57 1 6 -1 81 396.854 5

Activity (Go SEA)

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