UCSF

ZINC00700161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 2.96 12.17 -10.11 0 7 0 70 469.589 8
Lo Low (pH 4.5-6) 2.96 13.83 -47.79 1 7 1 71 470.597 8

Activity (Go SEA)

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