UCSF

ZINC35738366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -0.28 2.56 -99.05 5 4 2 65 215.341 3
Hi High (pH 8-9.5) -0.28 2.24 -43.07 4 4 1 63 214.333 3

Activity (Go SEA)

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