UCSF

ZINC49277408

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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) 2.23 6.26 -28.58 2 3 1 29 280.461 4
Mid Mid (pH 6-8) 2.23 7.54 -99.27 3 3 2 34 281.469 4
Mid Mid (pH 6-8) 2.23 7.31 -37.71 2 3 1 33 280.461 4

Activity (Go SEA)

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