UCSF

ZINC52484180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 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 8.39 -83.7 3 3 2 24 281.488 6
Mid Mid (pH 6-8) 2.69 7.89 -114.46 3 3 2 24 281.488 6
Lo Low (pH 4.5-6) 2.69 10.08 -201.45 4 3 3 25 282.496 6

Activity (Go SEA)

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