UCSF

ZINC60537943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 1.14 3.79 -52.03 0 5 -1 59 288.249 3
Mid Mid (pH 6-8) 1.14 1.84 -31.11 1 5 0 61 289.257 3
Mid Mid (pH 6-8) 1.14 2.8 -12.32 1 5 0 57 289.257 3

Activity (Go SEA)

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

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