UCSF

ZINC37851210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.32 0.48 -44.61 4 4 1 66 240.323 9
Hi High (pH 8-9.5) 0.32 -0.88 -8.26 3 4 0 62 239.315 9

Activity (Go SEA)

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