UCSF

ZINC06492034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 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) 4.37 9.73 -23.7 2 9 0 115 502.618 10
Hi High (pH 8-9.5) 4.37 9.56 -51.27 1 9 -1 114 501.61 10

Activity (Go SEA)

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