UCSF

ZINC19903287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.47 7.36 -39.31 2 3 1 35 294.321 7
Hi High (pH 8-9.5) 3.47 5.88 -7.36 1 3 0 30 293.313 7

Activity (Go SEA)

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