UCSF

ZINC34581001

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 4.65 10.85 -39.37 2 4 1 43 341.475 8
Hi High (pH 8-9.5) 4.65 8.37 -8.89 1 4 0 42 340.467 8

Activity (Go SEA)

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