UCSF

ZINC53117070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 Yes

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) 2.17 4.62 -40.33 3 5 1 76 282.36 6
Hi High (pH 8-9.5) 2.17 3.41 -7.07 2 5 0 72 281.352 6

Activity (Go SEA)

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