UCSF

ZINC59355576

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 11 No

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) 0.30 1.29 -9.13 1 4 0 49 156.185 2
Hi High (pH 8-9.5) 0.48 -1.31 -42.88 0 4 -1 56 155.177 2

Activity (Go SEA)

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