UCSF

ZINC62473598

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 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) 2.74 9.44 -54.2 2 5 1 50 347.87 7
Lo Low (pH 4.5-6) 2.74 9.89 -106.36 3 5 2 51 348.878 7

Activity (Go SEA)

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