UCSF

ZINC37079670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.78 5.41 -40.9 3 3 1 34 288.459 6
Hi High (pH 8-9.5) 1.78 6.87 -31.31 3 3 1 34 288.459 6
Mid Mid (pH 6-8) 1.78 6.68 -29.17 3 3 1 34 288.459 6
Mid Mid (pH 6-8) 1.78 7.02 -117.73 4 3 2 35 289.467 6

Activity (Go SEA)

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