UCSF

ZINC26503131

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 34 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) 4.63 11.94 -55.79 0 5 -1 73 461.488 6
Lo Low (pH 4.5-6) 4.63 11.11 -14.43 1 5 0 71 462.496 6
Lo Low (pH 4.5-6) 4.63 11.55 -49.69 2 5 1 72 463.504 6

Activity (Go SEA)

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