UCSF

ZINC35364546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.58 4.6 -32.19 3 3 1 34 222.356 6
Mid Mid (pH 6-8) 1.58 4.69 -36.66 3 3 1 34 222.356 6
Lo Low (pH 4.5-6) 1.58 7.06 -108.55 4 3 2 35 223.364 6

Activity (Go SEA)

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