UCSF

ZINC49718420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.38 6.54 -15.11 0 5 0 42 358.413 5
Mid Mid (pH 6-8) 2.38 8.76 -52.22 1 5 1 43 359.421 5

Activity (Go SEA)

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