UCSF

ZINC00734966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 5.24 12.45 -12.5 0 6 0 55 472.976 6
Mid Mid (pH 6-8) 5.24 14.74 -54.72 1 6 1 56 473.984 6

Activity (Go SEA)

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