UCSF

ZINC51874239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 22 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) -0.46 6.01 -15.43 0 6 0 71 301.346 6
Lo Low (pH 4.5-6) -0.46 6.46 -41.89 1 6 1 72 302.354 6

Activity (Go SEA)

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