UCSF

ZINC15841755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 3.42 8.95 -25.21 0 4 0 42 304.349 2
Lo Low (pH 4.5-6) 3.42 9.25 -32.1 1 4 1 44 305.357 2

Activity (Go SEA)

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