UCSF

ZINC48446464

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 13 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) 0.64 2.49 -29.41 2 3 1 38 199.299 5
Hi High (pH 8-9.5) 0.64 0.75 -5.82 1 3 0 36 198.291 5

Activity (Go SEA)

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