UCSF

ZINC48865488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) -0.39 -0.69 -43.68 5 5 1 88 265.333 4
Mid Mid (pH 6-8) -0.39 -0.99 -9.55 4 5 0 87 264.325 4

Activity (Go SEA)

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