UCSF

ZINC41295874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 1.20 4.96 -13.82 2 5 0 71 297.358 6
Lo Low (pH 4.5-6) 1.20 5.31 -41.95 3 5 1 72 298.366 6

Activity (Go SEA)

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