UCSF

ZINC34970286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 6.21 10.97 -11.45 0 5 0 50 486.722 10
Mid Mid (pH 6-8) 6.21 13.24 -46.4 1 5 1 51 487.73 10

Activity (Go SEA)

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