UCSF

ZINC41061967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.80 6.97 -31.74 2 2 1 29 237.392 4
Hi High (pH 8-9.5) 2.80 5.7 -5.66 1 2 0 25 236.384 4

Activity (Go SEA)

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