UCSF

ZINC67714362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) -0.84 -1.3 -12.73 4 6 0 100 265.313 3
Mid Mid (pH 6-8) -0.84 -0.87 -36.55 5 6 1 101 266.321 3

Activity (Go SEA)

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