UCSF

ZINC44344753

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 18 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) 0.48 2.51 -39.06 1 7 -1 91 246.25 5
Lo Low (pH 4.5-6) 0.48 2.77 -12.93 2 7 0 93 247.258 5

Activity (Go SEA)

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