UCSF

ZINC37112950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.61 7.72 -32.3 3 3 1 44 261.389 6
Hi High (pH 8-9.5) 1.61 5.95 -3.56 2 3 0 42 260.381 6
Mid Mid (pH 6-8) 1.61 6.21 -39.17 3 3 1 44 261.389 6
Mid Mid (pH 6-8) 1.61 7.77 -118.59 4 3 2 45 262.397 6

Activity (Go SEA)

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