UCSF

ZINC29467285

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 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) 3.43 9.88 -38.56 1 4 1 33 321.448 6
Hi High (pH 8-9.5) 3.43 7.36 -8.32 0 4 0 32 320.44 6
Lo Low (pH 4.5-6) 3.43 10.2 -91.46 2 4 2 35 322.456 6

Activity (Go SEA)

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