UCSF

ZINC22167325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 2.14 4.78 -34.93 4 5 1 69 292.403 4
Hi High (pH 8-9.5) 2.14 2.72 -9.74 3 5 0 68 291.395 4

Activity (Go SEA)

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