UCSF

ZINC15935263

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 23 Yes

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) 4.83 9.6 -8.82 1 4 0 43 369.321 5
Lo Low (pH 4.5-6) 4.83 10.06 -33.23 2 4 1 44 370.329 5
Lo Low (pH 4.5-6) 4.83 10.51 -88.12 3 4 2 45 371.337 5
Lo Low (pH 4.5-6) 4.83 10.05 -32.13 2 4 1 44 370.329 5

Activity (Go SEA)

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