UCSF

ZINC60537935

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 21 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) 2.28 5.94 -53.91 1 5 -1 68 282.323 3
Mid Mid (pH 6-8) 2.28 4.94 -11.33 2 5 0 65 283.331 3
Mid Mid (pH 6-8) 2.28 6.42 -42.1 2 5 0 70 283.331 3

Activity (Go SEA)

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

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