UCSF

ZINC37184349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.21 6.17 -28.46 2 3 1 31 236.364 5
Mid Mid (pH 6-8) 2.21 5.74 -7.37 1 3 0 30 235.356 5
Lo Low (pH 4.5-6) 2.21 6.85 -35 2 3 1 34 236.364 5

Activity (Go SEA)

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