UCSF

ZINC51396279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 19 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) 2.47 7.43 -43.08 3 3 1 44 256.373 5
Hi High (pH 8-9.5) 2.47 7.03 -4.84 2 3 0 42 255.365 5
Lo Low (pH 4.5-6) 2.47 7.34 -24.67 3 3 1 43 256.373 5
Lo Low (pH 4.5-6) 2.47 7.73 -110.19 4 3 2 45 257.381 5

Activity (Go SEA)

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