UCSF

ZINC04371570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 28 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) 3.86 9.92 -11.87 1 5 0 60 388.858 5
Lo Low (pH 4.5-6) 3.86 10.19 -45.9 2 5 1 61 389.866 5

Activity (Go SEA)

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