UCSF

ZINC19771307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 4.21 9.38 -31.4 1 2 1 8 277.476 3
Hi High (pH 8-9.5) 4.21 7.88 -0.17 0 2 0 6 276.468 3

Activity (Go SEA)

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