UCSF

ZINC19503905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 2.75 8.34 -33.43 2 3 1 37 275.416 4
Hi High (pH 8-9.5) 2.75 7.11 -7.65 1 3 0 32 274.408 4

Activity (Go SEA)

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