UCSF

ZINC37098566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.79 7.78 -111.56 3 2 2 21 212.381 4
Hi High (pH 8-9.5) 3.79 5.35 -30.46 2 2 1 20 211.373 4
Hi High (pH 8-9.5) 3.79 6.59 -31.58 2 2 1 16 211.373 4

Activity (Go SEA)

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