UCSF

ZINC06657993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 18 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) 2.67 4.71 -14.21 2 3 0 53 245.253 1
Hi High (pH 8-9.5) 2.06 4.34 -15.3 0 3 0 52 244.245 1
Mid Mid (pH 6-8) 2.67 5.48 -62.92 1 3 -1 56 244.245 1

Activity (Go SEA)

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

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