UCSF

ZINC04243788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 No

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) 2.10 6.97 -44.57 0 5 -1 76 271.195 6
Mid Mid (pH 6-8) 1.35 4.48 -15.27 0 5 0 69 272.203 7

Activity (Go SEA)

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

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