UCSF

ZINC43142583

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.05 7.5 -11.84 2 5 0 48 370.472 5
Mid Mid (pH 6-8) 4.05 9.72 -53.4 3 5 1 49 371.48 5

Activity (Go SEA)

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