UCSF

ZINC25762978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.74 12.61 -55.95 1 7 1 74 485.645 14
Hi High (pH 8-9.5) 4.74 10.23 -15.1 0 7 0 73 484.637 14

Activity (Go SEA)

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