UCSF

ZINC28644466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 18 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) 4.45 6.05 -8.29 2 3 0 49 247.338 2
Hi High (pH 8-9.5) 4.45 6.9 -59.11 1 3 -1 52 246.33 2

Activity (Go SEA)

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