UCSF

ZINC19727545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 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) 1.53 2 -3.45 1 3 0 33 199.294 2
Mid Mid (pH 6-8) 1.53 3.75 -38.08 2 3 1 34 200.302 2

Activity (Go SEA)

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