UCSF

ZINC03877090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 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) 4.43 10.96 -45.9 2 3 1 34 324.492 4
Hi High (pH 8-9.5) 4.43 9.93 -6.89 1 3 0 30 323.484 4

Activity (Go SEA)

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