UCSF

ZINC37180942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.20 7.86 -47.15 0 4 -1 58 225.293 5
Mid Mid (pH 6-8) 1.20 8.34 -43.06 1 4 0 59 226.301 5

Activity (Go SEA)

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

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