UCSF

ZINC11971204

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2008 32 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) 2.69 0.24 -16.14 0 8 0 91 439.512 6
Lo Low (pH 4.5-6) 2.69 0.35 -45.64 1 8 1 92 440.52 6

Activity (Go SEA)

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