UCSF

ZINC31773677

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 30 No

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) 2.69 7 -74.03 1 7 1 77 429.518 4
Hi High (pH 8-9.5) 2.69 4.7 -20.39 0 7 0 76 428.51 4

Activity (Go SEA)

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