UCSF

ZINC06690122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 4.53 11.37 -53.01 1 6 -1 87 392.479 8
Mid Mid (pH 6-8) 4.53 11.94 -52.06 2 6 0 88 393.487 8

Activity (Go SEA)

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