UCSF

ZINC19968664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.00 5.52 -43.94 3 2 1 37 220.336 2
Hi High (pH 8-9.5) 1.00 5.43 -4.74 2 2 0 35 219.328 2

Activity (Go SEA)

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