UCSF

ZINC40138452

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 6.48 11.43 -16.63 2 7 0 93 522.399 7
Hi High (pH 8-9.5) 6.48 12.44 -59.58 1 7 -1 96 521.391 7

Activity (Go SEA)

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