UCSF

ZINC40240930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 15 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) 2.24 5.27 -38.57 2 2 1 20 205.325 3
Lo Low (pH 4.5-6) 2.24 7.17 -111.59 3 2 2 21 206.333 3
Lo Low (pH 4.5-6) 2.24 5.81 -31.06 2 2 1 16 205.325 3

Activity (Go SEA)

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