UCSF

ZINC41584979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.88 12.16 -54.54 2 8 1 94 515.586 8
Mid Mid (pH 6-8) 4.88 9.87 -14.45 1 8 0 92 514.578 8
Mid Mid (pH 6-8) 4.88 12.13 -53.99 2 8 1 94 515.586 8

Activity (Go SEA)

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