UCSF

ZINC44114638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 1.81 4.08 -35.67 2 4 1 37 279.404 5
Mid Mid (pH 6-8) 1.81 1.8 -4.86 1 4 0 36 278.396 5
Lo Low (pH 4.5-6) 1.81 4.05 -36.13 2 4 1 37 279.404 5

Activity (Go SEA)

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