UCSF

ZINC37803389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.82 5.68 -38.55 2 4 1 50 260.361 4
Hi High (pH 8-9.5) 0.82 4.89 -9.94 1 4 0 45 259.353 4
Lo Low (pH 4.5-6) 0.82 6.14 -82.05 3 4 2 51 261.369 4

Activity (Go SEA)

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