UCSF

ZINC36879547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.59 7.08 -31.41 3 3 1 40 299.385 5
Mid Mid (pH 6-8) 1.59 7.12 -123.59 4 3 2 41 300.393 5

Activity (Go SEA)

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