UCSF

ZINC36103352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.44 4.39 -8.82 0 4 0 33 254.374 3
Mid Mid (pH 6-8) 1.44 6.39 -45.46 1 4 1 34 255.382 3

Activity (Go SEA)

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