UCSF

ZINC35248489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 13 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) 0.60 0.16 -37.79 4 4 1 69 187.263 4
Hi High (pH 8-9.5) 0.60 -1.16 -8.49 3 4 0 64 186.255 4

Activity (Go SEA)

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