UCSF

ZINC37809750

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.45 2.66 -37.31 4 4 1 68 257.398 6
Hi High (pH 8-9.5) 1.45 2.46 -6.52 3 4 0 67 256.39 6

Activity (Go SEA)

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