UCSF

ZINC11890719

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 17 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) -0.13 -0.69 -61.66 0 4 -1 60 297.128 2
Mid Mid (pH 6-8) 3.48 8.12 -11.55 1 5 0 54 337.423 5

Activity (Go SEA)

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