UCSF

ZINC03955506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 30 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) 2.36 -2.17 -15.13 0 7 0 71 401.422 1
Lo Low (pH 4.5-6) 2.36 -2.07 -38.05 1 7 1 73 402.43 1

Activity (Go SEA)

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