UCSF

ZINC37380980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.79 6.85 -49.23 0 3 -1 49 203.217 2
Lo Low (pH 4.5-6) 1.79 4.8 -9.35 1 3 0 47 204.225 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.