UCSF

ZINC08652962

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 13 No

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) 3.49 6 -24.62 3 3 1 53 210.307 1
Lo Low (pH 4.5-6) 3.49 5.97 -100.65 4 3 2 54 211.315 1

Activity (Go SEA)

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

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