UCSF

ZINC32764751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 19 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) 2.43 8.73 -37.03 1 3 1 25 279.429 2
Hi High (pH 8-9.5) 2.43 6.71 -8.87 0 3 0 24 278.421 2

Activity (Go SEA)

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