UCSF

ZINC19670997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 2.67 6.42 -49.67 3 3 1 46 278.759 5
Hi High (pH 8-9.5) 2.67 6.11 -5.44 2 3 0 44 277.751 5

Activity (Go SEA)

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