UCSF

ZINC22778454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 2.17 6.95 -38.44 2 4 1 37 304.458 5
Hi High (pH 8-9.5) 2.17 4.73 -9.33 1 4 0 36 303.45 5

Activity (Go SEA)

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