UCSF

ZINC37039802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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 -1.52 -87.74 5 4 2 56 189.303 4
Hi High (pH 8-9.5) -1.32 -1.91 -30.4 4 4 1 54 188.295 4

Activity (Go SEA)

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