UCSF

ZINC40115777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 20 No

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) 0.74 2.5 -53.96 1 5 -1 82 285.304 3
Lo Low (pH 4.5-6) 0.74 1.74 -13.76 2 5 0 79 286.312 3

Activity (Go SEA)

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