UCSF

ZINC70614060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.54 8.62 -97.97 3 2 2 21 228.424 6
Hi High (pH 8-9.5) 3.54 7.33 -32.4 2 2 1 16 227.416 6
Hi High (pH 8-9.5) 3.54 6.82 -36.58 2 2 1 20 227.416 6

Activity (Go SEA)

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