UCSF

ZINC37042305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -2.08 -1.13 -94.46 7 6 2 104 244.339 6
Hi High (pH 8-9.5) -2.08 -3.33 -52.57 6 6 1 103 243.331 6

Activity (Go SEA)

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