UCSF

ZINC28707774

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 36 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) 4.56 15.73 -51.83 1 6 1 60 487.599 8
Hi High (pH 8-9.5) 4.56 13.2 -11.51 0 6 0 58 486.591 8

Activity (Go SEA)

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