UCSF

ZINC22213747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.79 7.61 -121.43 4 3 2 41 278.44 5
Hi High (pH 8-9.5) 2.79 7.24 -31.98 3 3 1 40 277.432 5

Activity (Go SEA)

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