UCSF

ZINC40656054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 22 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) 3.17 8.01 -7.03 0 3 0 36 290.366 2
Lo Low (pH 4.5-6) 3.17 10.38 -52.2 1 3 1 37 291.374 2

Activity (Go SEA)

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