UCSF

ZINC06696889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 29 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) 2.82 10.19 -12.12 0 6 0 57 393.487 8
Mid Mid (pH 6-8) 2.82 11.4 -33.16 1 6 1 58 394.495 8

Activity (Go SEA)

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