UCSF

ZINC37051769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.77 6.23 -10.55 2 4 0 46 266.348 2
Lo Low (pH 4.5-6) 2.77 6.64 -33.47 3 4 1 47 267.356 2

Activity (Go SEA)

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