UCSF

ZINC12358646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 26 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) 3.42 -0.83 -121.61 0 6 -2 106 342.31 3
Lo Low (pH 4.5-6) 3.42 -0.74 -117.09 1 6 -1 107 343.318 3

Activity (Go SEA)

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