UCSF

ZINC49568720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 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) 0.19 0.04 -43.74 3 3 1 34 210.345 2
Hi High (pH 8-9.5) 0.19 4.58 -99.86 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 2.39 -104.73 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 2.6 -84.56 4 3 2 35 211.353 2

Activity (Go SEA)

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

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