UCSF

ZINC49487727

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 20 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) 1.69 4.18 -36.82 0 6 -1 98 290.324 3
Mid Mid (pH 6-8) 1.69 3.81 -13.15 1 6 0 96 291.332 3

Activity (Go SEA)

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