UCSF

ZINC44513683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 1.32 7.37 -101.25 4 4 2 49 260.385 3
Hi High (pH 8-9.5) 1.32 5.15 -49.76 3 4 1 48 259.377 3
Hi High (pH 8-9.5) 1.32 5.89 -78.82 4 4 2 49 260.385 3

Activity (Go SEA)

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