UCSF

ZINC03705489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 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) 0.84 3.83 -44.05 3 2 1 37 200.689 2
Hi High (pH 8-9.5) 0.84 3.51 -2.47 2 2 0 35 199.681 2

Activity (Go SEA)

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