UCSF

ZINC20213555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 0.65 1.1 -52.36 1 6 -1 91 285.223 5
Hi High (pH 8-9.5) 0.65 0.68 -94.74 0 6 -2 93 284.215 5

Activity (Go SEA)

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