UCSF

ZINC37339127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.67 4.37 -39.26 3 4 1 62 252.334 6
Hi High (pH 8-9.5) 2.67 3.85 -53.5 1 4 -1 64 250.318 6
Mid Mid (pH 6-8) 2.67 5.37 -53.63 2 4 0 65 251.326 6
Mid Mid (pH 6-8) 2.67 2.84 -9.45 2 4 0 61 251.326 6

Activity (Go SEA)

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