UCSF

ZINC37213765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.76 5.75 -44.38 2 5 1 49 284.424 6
Mid Mid (pH 6-8) 1.76 6.45 -35.92 2 5 1 46 284.424 6
Mid Mid (pH 6-8) 1.76 7.55 -126.01 3 5 2 51 285.432 6

Activity (Go SEA)

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