UCSF

ZINC20546968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 16 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) 1.58 1.63 -51.14 1 5 -1 86 262.332 5
Hi High (pH 8-9.5) 1.58 1.24 -98.95 0 5 -2 88 261.324 5

Activity (Go SEA)

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