UCSF

ZINC47452702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 16 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) 1.77 6.86 -42.74 2 3 1 34 219.308 4
Hi High (pH 8-9.5) 1.77 4.39 -7.99 1 3 0 32 218.3 4

Activity (Go SEA)

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