UCSF

ZINC37041662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.72 -1.32 -52.08 6 6 1 117 306.795 5
Hi High (pH 8-9.5) 0.72 -1.65 -14.84 5 6 0 115 305.787 5

Activity (Go SEA)

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