UCSF

ZINC42912920

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 1.97 5.68 -125.59 4 2 2 32 226.339 4
Mid Mid (pH 6-8) 1.97 4.76 -41.16 3 2 1 31 225.331 4
Mid Mid (pH 6-8) 1.97 5.38 -32.61 3 2 1 30 225.331 4

Activity (Go SEA)

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