UCSF

ZINC44679045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) -0.23 2.07 -55.47 2 5 1 74 230.313 4
Hi High (pH 8-9.5) -0.23 1.9 -35.24 1 5 0 76 229.305 4
Hi High (pH 8-9.5) -0.23 -0.31 -16.26 1 5 0 73 229.305 4

Activity (Go SEA)

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