UCSF

ZINC49751858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 20 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) 2.89 6.75 -6.7 0 3 0 24 274.408 4
Mid Mid (pH 6-8) 2.89 8.99 -43.39 1 3 1 25 275.416 4

Activity (Go SEA)

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