UCSF

ZINC72188908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2012 38 No

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) 4.72 11.56 -23.23 1 10 0 140 522.554 8
Hi High (pH 8-9.5) 4.72 12.24 -69.71 0 10 -1 143 521.546 8
Mid Mid (pH 6-8) 4.90 11.07 -16.89 1 10 0 140 522.554 8
Mid Mid (pH 6-8) 4.88 11.55 -14.31 1 10 0 140 522.554 8

Activity (Go SEA)

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