UCSF

ZINC00022079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.29 8.11 -9.67 2 4 0 50 342.414 6
Mid Mid (pH 6-8) 3.29 8.36 -47.6 3 4 1 55 343.422 6

Activity (Go SEA)

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