UCSF

ZINC49718642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 26 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 7.57 -10.59 0 5 0 42 354.45 7
Mid Mid (pH 6-8) 2.96 9.78 -50.99 1 5 1 43 355.458 7

Activity (Go SEA)

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