UCSF

ZINC62924702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 20 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) -1.45 -0.44 -62.55 2 9 -1 143 302.288 3
Mid Mid (pH 6-8) -0.99 -3.24 -103.96 1 9 -2 146 301.28 3

Activity (Go SEA)

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

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