UCSF

ZINC21814780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 2.16 3.29 -6.69 2 3 0 45 271.158 2
Lo Low (pH 4.5-6) 2.16 3.75 -34.06 3 3 1 46 272.166 2

Activity (Go SEA)

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