UCSF

ZINC42586603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.91 9.75 -37.27 1 3 1 31 278.416 8
Hi High (pH 8-9.5) 3.91 7.53 -6.62 0 3 0 30 277.408 8

Activity (Go SEA)

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