UCSF

ZINC25946746

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 29 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) 2.01 5.64 -63.56 4 7 1 111 416.523 7
Hi High (pH 8-9.5) 2.01 3.35 -23.15 3 7 0 110 415.515 7

Activity (Go SEA)

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