UCSF

ZINC26511329

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 2.58 4.76 -8.43 3 3 0 55 205.236 2
Lo Low (pH 4.5-6) 2.58 4.87 -34.04 4 3 1 56 206.244 2

Activity (Go SEA)

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