UCSF

ZINC20135079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 14 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 4.65 -5.77 1 3 0 30 195.31 3
Lo Low (pH 4.5-6) 2.74 4.75 -26.26 2 3 1 31 196.318 3

Activity (Go SEA)

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