UCSF

ZINC39447416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 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) 4.08 11.76 -38.46 1 3 1 21 342.551 7
Hi High (pH 8-9.5) 4.08 11.18 -39.57 1 3 1 21 342.551 7

Activity (Go SEA)

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