UCSF

ZINC34930170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.97 6.35 -10.89 0 5 0 50 374.506 7
Mid Mid (pH 6-8) 2.97 8.61 -50.22 1 5 1 51 375.514 7

Activity (Go SEA)

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