UCSF

ZINC67172468

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 15 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) 0.12 -2.36 -48.87 2 6 -1 105 241.277 3
Mid Mid (pH 6-8) -0.34 -0.33 -18.33 3 6 0 102 242.285 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.