UCSF

ZINC52706382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 18 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 7.19 -34.63 1 3 1 23 252.378 8
Hi High (pH 8-9.5) 2.96 4.83 -4.58 0 3 0 22 251.37 8

Activity (Go SEA)

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