UCSF

ZINC47872451

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 17 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) 2.61 6.62 -37.42 2 3 1 34 253.391 5
Mid Mid (pH 6-8) 2.61 4.11 -6.43 1 3 0 32 252.383 5

Activity (Go SEA)

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