UCSF

ZINC21670071

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 2.81 6.71 -50.52 0 6 -1 78 348.382 3
Lo Low (pH 4.5-6) 2.35 8.48 -11.63 1 6 0 75 349.39 3

Activity (Go SEA)

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