UCSF

ZINC44518859

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.91 8.06 -79.06 3 3 2 24 283.504 6
Hi High (pH 8-9.5) 2.90 8.73 -92.23 3 3 2 21 283.504 6
Lo Low (pH 4.5-6) 2.91 9.88 -174.69 4 3 3 25 284.512 6

Activity (Go SEA)

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