UCSF

ZINC55414884

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 23 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) 2.97 6.44 -8.09 1 3 0 33 329.465 7
Mid Mid (pH 6-8) 2.97 8.51 -41.63 2 3 1 34 330.473 7

Activity (Go SEA)

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