UCSF

ZINC48584112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 2.45 6.92 -8.09 0 3 0 30 261.243 6
Lo Low (pH 4.5-6) 2.45 8.14 -37.26 1 3 1 31 262.251 6

Activity (Go SEA)

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