UCSF

ZINC43966483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.45 6.67 -36.48 2 4 1 38 291.415 4
Hi High (pH 8-9.5) 2.45 4.2 -4.37 1 4 0 34 290.407 4
Lo Low (pH 4.5-6) 2.45 6.65 -116.99 3 4 2 40 292.423 4

Activity (Go SEA)

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