UCSF

ZINC33499174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 No

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) 5.51 14.27 -55.03 0 5 -1 70 460.509 7
Lo Low (pH 4.5-6) 5.51 12.98 -17.85 1 5 0 67 461.517 7

Activity (Go SEA)

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