UCSF

ZINC00732230

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 21 No

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) 2.45 7.31 -11.24 0 4 0 48 285.253 3
Lo Low (pH 4.5-6) 2.45 7.75 -47.54 1 4 1 49 286.261 3

Activity (Go SEA)

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