UCSF

ZINC49947378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 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) 2.27 7.31 -38.19 2 4 1 51 266.361 9
Mid Mid (pH 6-8) 2.27 5.2 -6.54 1 4 0 50 265.353 9

Activity (Go SEA)

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