UCSF

ZINC32902731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 23 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) 1.46 5.26 -42.35 3 6 1 77 340.831 7
Hi High (pH 8-9.5) 1.46 3.03 -12.55 2 6 0 76 339.823 7
Lo Low (pH 4.5-6) 1.46 4.92 -39.65 3 6 1 77 340.831 7
Lo Low (pH 4.5-6) 1.46 7.17 -117.94 4 6 2 78 341.839 7

Activity (Go SEA)

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