UCSF

ZINC37079690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.51 6.42 -122.89 4 3 2 35 275.44 6
Hi High (pH 8-9.5) 1.51 6.21 -35.53 3 3 1 34 274.432 6
Mid Mid (pH 6-8) 1.51 3.67 -2.03 2 3 0 32 273.424 6
Mid Mid (pH 6-8) 1.51 5.34 -30.43 3 3 1 34 274.432 6
Mid Mid (pH 6-8) 1.51 5.68 -118.08 4 3 2 35 275.44 6

Activity (Go SEA)

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