UCSF

ZINC44517548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.23 5.12 -104.34 4 4 2 51 278.396 4
Hi High (pH 8-9.5) 2.23 4.1 -36.56 3 4 1 46 277.388 4

Activity (Go SEA)

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