UCSF

ZINC21801619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.50 6.14 -48.86 3 2 1 37 254.781 3
Hi High (pH 8-9.5) 4.50 6.64 -28.38 2 2 0 40 253.773 3

Activity (Go SEA)

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