UCSF

ZINC43253413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.93 6.29 -50.63 3 2 1 31 336.333 5
Mid Mid (pH 6-8) 3.93 7.82 -41.32 3 2 1 30 336.333 5
Lo Low (pH 4.5-6) 3.93 8.1 -130.05 4 2 2 32 337.341 5

Activity (Go SEA)

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