UCSF

ZINC06702110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 24 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) 3.16 7.08 -48.65 2 5 1 46 326.42 5
Hi High (pH 8-9.5) 3.16 4.83 -12.9 1 5 0 45 325.412 5

Activity (Go SEA)

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