UCSF

ZINC35113626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.84 6.93 -41.58 2 3 1 34 216.308 5
Hi High (pH 8-9.5) 1.84 5.56 -5.61 1 3 0 30 215.3 5

Activity (Go SEA)

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