UCSF

ZINC36797899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.53 3.58 -3.95 2 4 0 48 264.369 5
Mid Mid (pH 6-8) 2.53 5.49 -34.66 3 4 1 49 265.377 5

Activity (Go SEA)

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