UCSF

ZINC36929022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

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) 2.40 5.38 -8.07 1 3 0 46 231.295 3
Hi High (pH 8-9.5) 2.58 2.82 -44.33 0 3 -1 52 230.287 3

Activity (Go SEA)

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