UCSF

ZINC19479669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 2.96 4.43 -10.92 4 4 0 75 256.305 2
Hi High (pH 8-9.5) 2.96 5.29 -58.58 3 4 -1 78 255.297 2

Activity (Go SEA)

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