UCSF

ZINC28842932

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 25 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) 0.62 8.56 -34.73 3 7 1 92 345.423 6
Hi High (pH 8-9.5) 0.62 6.46 -11.81 2 7 0 90 344.415 6

Activity (Go SEA)

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