UCSF

ZINC21663604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 3.76 10.02 -44.98 2 4 1 46 344.504 8
Hi High (pH 8-9.5) 3.76 7.69 -9.49 1 4 0 45 343.496 8

Activity (Go SEA)

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