UCSF

ZINC19717820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 25 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) 3.44 7.26 -16.46 2 5 0 75 359.426 4
Hi High (pH 8-9.5) 3.90 6.16 -39.99 1 5 -1 78 358.418 4

Activity (Go SEA)

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