UCSF

ZINC42384225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 25 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) 2.04 6.23 -16.07 1 6 0 69 336.395 6
Lo Low (pH 4.5-6) 2.04 6.69 -46.36 2 6 1 70 337.403 6

Activity (Go SEA)

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