UCSF

ZINC39286934

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.29 8.08 -60.78 0 5 -1 75 263.66 2
Lo Low (pH 4.5-6) 2.29 6.84 -46.62 1 5 0 78 264.668 2

Activity (Go SEA)

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