UCSF

ZINC36925067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.63 7.2 -51.34 0 5 -1 80 218.236 5
Lo Low (pH 4.5-6) 0.63 5.22 -11.77 1 5 0 77 219.244 5

Activity (Go SEA)

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