UCSF

ZINC37803444

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) 0.44 6.71 -44.22 2 4 1 50 260.361 7
Hi High (pH 8-9.5) 0.44 5.35 -8.65 1 4 0 45 259.353 7
Lo Low (pH 4.5-6) 0.44 7.17 -87.96 3 4 2 51 261.369 7

Activity (Go SEA)

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