UCSF

ZINC43425097

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.16 4.62 -40.62 3 3 1 40 259.373 1
Hi High (pH 8-9.5) 0.16 4.16 -3.02 2 3 0 38 258.365 1
Lo Low (pH 4.5-6) 0.16 6.2 -125.76 4 3 2 41 260.381 1

Activity (Go SEA)

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