UCSF

ZINC51399344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 16 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) 1.89 6.43 -41.61 2 3 1 33 220.34 3
Hi High (pH 8-9.5) 1.89 4.97 -3.91 1 3 0 28 219.332 3
Mid Mid (pH 6-8) 1.89 6.89 -92.94 3 3 2 34 221.348 3

Activity (Go SEA)

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