UCSF

ZINC37847707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.81 4.47 -99.84 4 5 2 60 292.464 12
Hi High (pH 8-9.5) 0.81 3.34 -36.79 3 5 1 55 291.456 12

Activity (Go SEA)

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