UCSF

ZINC21517053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 2.59 8.34 -44.18 3 2 1 37 272.412 6
Hi High (pH 8-9.5) 2.59 7.98 -3.48 2 2 0 35 271.404 6

Activity (Go SEA)

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