UCSF

ZINC52289123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.57 2.41 -36.13 3 3 1 46 169.248 2
Hi High (pH 8-9.5) 0.57 1.17 -9.06 2 3 0 41 168.24 2

Activity (Go SEA)

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