UCSF

ZINC19891727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 3.60 8.44 -38.98 2 4 1 33 403.344 4
Mid Mid (pH 6-8) 3.60 5.97 -6.21 1 4 0 32 402.336 4

Activity (Go SEA)

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