UCSF

ZINC52268332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 0.67 0.82 -9.74 4 4 0 71 179.223 2
Lo Low (pH 4.5-6) 0.23 0.18 -36.32 4 4 1 69 180.231 2

Activity (Go SEA)

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