UCSF

ZINC37596580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 17 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) 1.84 6.52 -51.03 1 5 0 70 277.777 7
Hi High (pH 8-9.5) 1.84 4.46 -45.13 0 5 -1 69 276.769 7

Activity (Go SEA)

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