UCSF

ZINC22792989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.77 6.45 -51.15 1 5 0 57 292.379 6
Hi High (pH 8-9.5) 1.77 4.07 -46.47 0 5 -1 56 291.371 6

Activity (Go SEA)

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