UCSF

ZINC42587322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 2.46 4.09 -10.58 1 5 0 63 275.304 5
Hi High (pH 8-9.5) 2.46 4.87 -53.51 0 5 -1 66 274.296 5

Activity (Go SEA)

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