UCSF

ZINC17022600

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 20 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) 2.88 7.54 -8.61 0 3 0 39 265.312 2
Lo Low (pH 4.5-6) 2.88 7.82 -42.39 1 3 1 40 266.32 2

Activity (Go SEA)

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