UCSF

ZINC53547367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 24 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) 0.66 10.35 -46.16 2 7 1 79 323.38 4
Mid Mid (pH 6-8) 0.66 9.91 -29.67 1 7 0 78 322.372 4

Activity (Go SEA)

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

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