UCSF

ZINC37045532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.46 3.31 -46.21 1 5 -1 86 280.684 5
Mid Mid (pH 6-8) 1.46 3.46 -94.34 0 5 -2 88 279.676 5

Activity (Go SEA)

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