UCSF

ZINC40408767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.53 7.56 -9.74 0 3 0 27 236.702 2
Lo Low (pH 4.5-6) 2.53 8.04 -35.69 1 3 1 28 237.71 2

Activity (Go SEA)

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