UCSF

ZINC60210712

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 31 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) 4.38 12.77 -14 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.56 12.02 -10.07 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.54 10.92 -16.11 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.96 12.1 -64.22 0 6 -1 88 436.509 6

Activity (Go SEA)

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