UCSF

ZINC35884951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 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) 6.47 17.7 -40.63 1 3 1 25 467.677 7
Mid Mid (pH 6-8) 6.47 15.25 -9.18 0 3 0 24 466.669 7

Activity (Go SEA)

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