UCSF

ZINC44724006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.48 1.86 -36.18 3 5 1 64 247.359 10
Hi High (pH 8-9.5) 0.48 0.78 -8.64 2 5 0 60 246.351 10

Activity (Go SEA)

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