UCSF

ZINC00320239

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 4.78 9.4 -10.4 1 4 0 39 329.831 4
Lo Low (pH 4.5-6) 4.78 9.64 -36.47 2 4 1 43 330.839 4
Lo Low (pH 4.5-6) 4.78 9.75 -22.73 2 4 1 40 330.839 4

Activity (Go SEA)

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