UCSF

ZINC61318568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 1.91 6.66 -44.72 3 5 1 72 311.427 7
Mid Mid (pH 6-8) 1.91 5.43 -7.94 2 5 0 67 310.419 7

Activity (Go SEA)

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

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