UCSF

ZINC33724102

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 5.02 14.24 -55.66 1 6 0 74 482.596 13
Lo Low (pH 4.5-6) 5.02 13.12 -53.13 2 6 1 71 483.604 13

Activity (Go SEA)

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