UCSF

ZINC37850849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 2.20 5.25 -49.16 3 4 1 59 293.431 8
Hi High (pH 8-9.5) 2.20 3.88 -6.8 2 4 0 54 292.423 8

Activity (Go SEA)

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