UCSF

ZINC43402384

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) 1.38 3.61 -51.73 3 6 1 84 258.305 3
Hi High (pH 8-9.5) 1.38 3.37 -12.65 2 6 0 83 257.297 3
Lo Low (pH 4.5-6) 1.38 4.09 -100.34 4 6 2 86 259.313 3

Activity (Go SEA)

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