UCSF

ZINC32905172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 29 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) 2.40 7.05 -23.31 2 8 0 98 421.429 8
Hi High (pH 8-9.5) 2.22 5.97 -44.88 1 8 -1 104 420.421 8

Activity (Go SEA)

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