UCSF

ZINC20229489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

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) 4.60 14.01 -72.25 1 6 0 74 488.559 9
Hi High (pH 8-9.5) 4.60 11.47 -57.56 0 6 -1 73 487.551 9

Activity (Go SEA)

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