UCSF

ZINC23333457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 3.92 9.65 -16.29 0 6 0 62 452.505 5
Mid Mid (pH 6-8) 3.92 11.92 -61.69 1 6 1 64 453.513 5

Activity (Go SEA)

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