UCSF

ZINC41587234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 4.88 8.52 -9.36 0 6 0 55 462.59 6
Mid Mid (pH 6-8) 4.88 11.38 -52.1 1 6 1 56 463.598 6
Mid Mid (pH 6-8) 4.88 10.8 -46.75 1 6 1 56 463.598 6
Lo Low (pH 4.5-6) 4.88 13.65 -125.52 2 6 2 58 464.606 6

Activity (Go SEA)

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