UCSF

ZINC53126673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.32 0.72 -36.24 3 4 1 49 257.398 5
Lo Low (pH 4.5-6) 1.32 2.98 -113.47 4 4 2 51 258.406 5

Activity (Go SEA)

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