UCSF

ZINC37998007

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.71 4.51 -50.51 2 5 1 54 347.229 6
Hi High (pH 8-9.5) 1.71 3.15 -7.44 1 5 0 49 346.221 6

Activity (Go SEA)

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