UCSF

ZINC37898799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 21 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) 6.04 10.71 -47.72 2 1 1 17 371.701 4
Mid Mid (pH 6-8) 6.04 10.3 -4.73 1 1 0 12 370.693 4

Activity (Go SEA)

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