UCSF

ZINC39868098

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 17 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) 2.46 5.71 -41.86 1 3 1 48 224.239 1
Hi High (pH 8-9.5) 2.04 7.05 -21.43 1 3 0 50 223.231 1

Activity (Go SEA)

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