UCSF

ZINC41152953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 4.39 10.85 -22.14 3 4 1 51 283.399 4
Hi High (pH 8-9.5) 4.39 10.52 -8.01 2 4 0 50 282.391 4

Activity (Go SEA)

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