UCSF

ZINC39982819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 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 7.71 -115.21 3 2 2 21 224.392 2
Hi High (pH 8-9.5) 2.80 6.57 -31 2 2 1 16 223.384 2
Hi High (pH 8-9.5) 2.80 5.64 -32.13 2 2 1 20 223.384 2

Activity (Go SEA)

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