UCSF

ZINC08845242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 4.00 6.58 -16.94 3 8 0 108 465.55 10
Hi High (pH 8-9.5) 4.00 7.36 -48.98 2 8 -1 111 464.542 10

Activity (Go SEA)

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