UCSF

ZINC15911297

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) 3.84 11.05 -16.17 0 4 0 38 325.437 5
Lo Low (pH 4.5-6) 3.84 11.51 -32.42 1 4 1 39 326.445 5

Activity (Go SEA)

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