UCSF

ZINC49754293

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 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) 0.73 8.23 -99.16 3 5 2 62 296.459 9
Mid Mid (pH 6-8) 0.73 6 -45.89 2 5 1 61 295.451 9

Activity (Go SEA)

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