UCSF

ZINC08686009

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 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) -0.07 1.48 -15.34 2 7 0 103 309.347 2
Hi High (pH 8-9.5) 0.84 -0.67 -51.37 1 7 -1 106 308.339 2

Activity (Go SEA)

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