UCSF

ZINC36783403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.85 6.71 -120.41 4 3 2 41 304.356 7
Hi High (pH 8-9.5) 2.85 6.69 -29.67 3 3 1 40 303.348 7
Mid Mid (pH 6-8) 2.85 4.92 -42.91 3 3 1 40 303.348 7

Activity (Go SEA)

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