UCSF

ZINC15018318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 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) 4.12 7.34 -12.31 2 5 0 70 381.233 2
Lo Low (pH 4.5-6) 3.94 7.65 -86.75 4 5 2 69 383.249 3

Activity (Go SEA)

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