UCSF

ZINC43446658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.29 4.66 -29.65 3 6 1 73 279.364 5
Mid Mid (pH 6-8) 1.29 4.35 -8 2 6 0 72 278.356 5
Lo Low (pH 4.5-6) 1.29 6.82 -91.3 4 6 2 74 280.372 5
Lo Low (pH 4.5-6) 1.29 6.5 -38.68 3 6 1 73 279.364 5

Activity (Go SEA)

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