UCSF

ZINC37822711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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 4.47 -45.56 3 4 1 61 250.366 6
Mid Mid (pH 6-8) 0.67 4.13 -8.75 2 4 0 59 249.358 6
Lo Low (pH 4.5-6) 0.67 5.2 -91.07 4 4 2 62 251.374 6

Activity (Go SEA)

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