UCSF

ZINC37870496

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.61 1.63 -35.04 4 6 1 87 281.332 7
Hi High (pH 8-9.5) 0.61 0.55 -10.4 3 6 0 83 280.324 7

Activity (Go SEA)

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