UCSF

ZINC62958231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.43 4.99 -39.56 2 4 1 46 267.393 2
Mid Mid (pH 6-8) 1.43 3.77 -10.6 1 4 0 42 266.385 2

Activity (Go SEA)

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

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