UCSF

ZINC20364260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 0.85 4.36 -47.34 3 4 1 59 236.339 6
Hi High (pH 8-9.5) 0.85 3.13 -12.48 2 4 0 54 235.331 6
Lo Low (pH 4.5-6) 0.85 3.64 -36.53 3 4 1 55 236.339 6

Activity (Go SEA)

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