UCSF

ZINC32123457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.16 4.21 -52.79 4 3 1 57 278.759 5
Hi High (pH 8-9.5) 2.16 3.84 -7.03 3 3 0 55 277.751 5

Activity (Go SEA)

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