UCSF

ZINC45704603

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.46 4.43 -33.73 3 4 1 49 295.447 9
Mid Mid (pH 6-8) 2.46 5.17 -30.27 3 4 1 46 295.447 9
Lo Low (pH 4.5-6) 2.46 6.47 -109.76 4 4 2 51 296.455 9

Activity (Go SEA)

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