UCSF

ZINC61994349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 2.46 7.75 -118.63 3 4 2 43 276.38 7
Hi High (pH 8-9.5) 2.46 3.95 -7.46 1 4 0 38 274.364 7
Mid Mid (pH 6-8) 2.46 5.32 -45.55 2 4 1 42 275.372 7
Mid Mid (pH 6-8) 2.46 6.4 -37.76 2 4 1 39 275.372 7

Activity (Go SEA)

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