UCSF

ZINC19885028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 4.33 8.59 -47.5 2 5 1 64 380.342 5
Mid Mid (pH 6-8) 4.33 9.38 -29.99 1 5 0 67 379.334 5

Activity (Go SEA)

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