UCSF

ZINC04951989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 25 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) 4.20 8.93 -15 2 4 0 54 353.422 6
Lo Low (pH 4.5-6) 4.20 9.29 -29.89 3 4 1 55 354.43 6

Activity (Go SEA)

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