UCSF

ZINC03649943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 No

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) -0.56 3.95 -32.47 4 4 0 84 236.296 3
Hi High (pH 8-9.5) -0.56 3.63 -46.63 3 4 -1 82 235.288 3

Activity (Go SEA)

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