UCSF

ZINC44727200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 12 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) -1.49 -2.67 -46.54 4 5 1 75 177.224 7
Hi High (pH 8-9.5) -1.49 -3.07 -10.76 3 5 0 74 176.216 7

Activity (Go SEA)

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