UCSF

ZINC06696641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 24 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) 3.14 8.59 -55.25 1 6 -1 87 330.408 7
Mid Mid (pH 6-8) 3.14 9.09 -52.89 2 6 0 88 331.416 7

Activity (Go SEA)

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