UCSF

ZINC59700595

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 23 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) 4.40 8.82 -6.48 1 2 0 23 323.358 6
Lo Low (pH 4.5-6) 4.40 9.28 -44.34 2 2 0 25 324.366 6

Activity (Go SEA)

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