UCSF

ZINC41014200

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.23 11.02 -14.46 1 5 0 60 416.93 7
Hi High (pH 8-9.5) 5.42 8.46 -43.82 0 5 -1 67 415.922 7

Activity (Go SEA)

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