UCSF

ZINC22861599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 12 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) 0.40 5.23 -37.63 2 3 1 34 166.248 4
Hi High (pH 8-9.5) 0.40 3.91 -7.79 1 3 0 30 165.24 4

Activity (Go SEA)

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