UCSF

ZINC37046308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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 3.87 -55 2 7 -1 126 304.307 5
Hi High (pH 8-9.5) 1.32 3.9 -107.83 1 7 -2 128 303.299 5

Activity (Go SEA)

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