UCSF

ZINC35133006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 3.10 5.75 -39.24 3 3 1 46 300.22 5
Hi High (pH 8-9.5) 3.10 4.78 -7.41 2 3 0 41 299.212 5

Activity (Go SEA)

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