UCSF

ZINC35054329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 2.71 6.92 -42.48 2 3 1 29 275.416 6
Hi High (pH 8-9.5) 2.71 7.93 -33.42 2 3 1 26 275.416 6
Lo Low (pH 4.5-6) 2.71 9.13 -108.85 3 3 2 30 276.424 6

Activity (Go SEA)

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