UCSF

ZINC62038428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 5.00 9.35 -3.25 1 1 0 12 291.435 6
Mid Mid (pH 6-8) 5.00 10.32 -36.04 2 1 1 17 292.443 6

Activity (Go SEA)

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

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