UCSF

ZINC21519246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 15 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) 1.37 4.3 -9.11 1 3 0 42 271.158 4
Lo Low (pH 4.5-6) 1.37 4.73 -44.93 2 3 1 43 272.166 4

Activity (Go SEA)

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