UCSF

ZINC57907300

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 3.33 8.48 -51.39 2 4 1 57 313.208 3
Hi High (pH 8-9.5) 3.33 6.29 -12.84 1 4 0 56 312.2 3
Mid Mid (pH 6-8) 3.15 7.5 -37.76 1 4 0 64 312.2 3

Activity (Go SEA)

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