UCSF

ZINC04970482

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 19 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) 3.03 6.16 -11.83 1 4 0 59 276.361 3
Hi High (pH 8-9.5) 3.03 6.23 -46.33 0 4 -1 61 275.353 3
Lo Low (pH 4.5-6) 3.03 6.32 -33.54 2 4 1 60 277.369 3

Activity (Go SEA)

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