UCSF

ZINC45619031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.01 2.59 -32.94 2 3 1 28 201.334 5
Hi High (pH 8-9.5) 1.01 0.33 -3.26 1 3 0 27 200.326 5
Mid Mid (pH 6-8) 1.01 2.7 -33.76 2 3 1 28 201.334 5

Activity (Go SEA)

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