UCSF

ZINC52253707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 2.52 4.9 -50.65 0 3 -1 49 185.243 4
Lo Low (pH 4.5-6) 2.52 4.2 -7.31 1 3 0 47 186.251 4

Activity (Go SEA)

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