UCSF

ZINC51397353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 2.45 6.93 -42.85 3 3 1 44 262.764 4
Hi High (pH 8-9.5) 2.45 6.53 -6.05 2 3 0 42 261.756 4
Lo Low (pH 4.5-6) 2.45 6.49 -27.23 3 3 1 43 262.764 4
Lo Low (pH 4.5-6) 2.45 6.88 -107.11 4 3 2 45 263.772 4

Activity (Go SEA)

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