UCSF

ZINC43423757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 3.23 4.45 -49.27 3 3 1 40 360.341 4
Hi High (pH 8-9.5) 3.23 4.05 -3.06 2 3 0 38 359.333 4
Lo Low (pH 4.5-6) 3.23 6.38 -117.46 4 3 2 41 361.349 4

Activity (Go SEA)

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