UCSF

ZINC34676939

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.21 9.24 -11.77 0 7 0 62 373.482 3
Mid Mid (pH 6-8) 2.21 9.63 -35 1 7 1 63 374.49 3

Activity (Go SEA)

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