UCSF

ZINC37030332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.16 4.62 -87.72 5 5 2 70 281.4 7
Hi High (pH 8-9.5) 1.16 2.09 -45.76 4 5 1 69 280.392 7

Activity (Go SEA)

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