UCSF

ZINC37873518

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) 0.16 0.24 -35.02 3 3 1 46 158.221 3
Hi High (pH 8-9.5) 0.16 -0.96 -3.42 2 3 0 41 157.213 3

Activity (Go SEA)

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