UCSF

ZINC31962941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -0.16 1.4 -61.14 4 8 1 106 330.368 4
Hi High (pH 8-9.5) -0.16 1 -17.89 3 8 0 105 329.36 4
Mid Mid (pH 6-8) -0.16 1.69 -108.36 5 8 2 108 331.376 4

Activity (Go SEA)

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