UCSF

ZINC37480272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 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) 3.35 8.3 -99.06 3 2 2 21 228.424 7
Hi High (pH 8-9.5) 3.35 6.26 -34.86 2 2 1 20 227.416 7
Hi High (pH 8-9.5) 3.35 7.08 -31.01 2 2 1 16 227.416 7

Activity (Go SEA)

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