UCSF

ZINC44822784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 3.15 6.67 -8.71 1 4 0 66 273.38 7
Lo Low (pH 4.5-6) 3.15 7.13 -39.93 2 4 1 67 274.388 7

Activity (Go SEA)

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