UCSF

ZINC35721089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 0.75 3.94 -56.08 1 5 -1 78 230.284 8
Lo Low (pH 4.5-6) 0.75 1.33 -6.75 2 5 0 76 231.292 8

Activity (Go SEA)

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