UCSF

ZINC62963339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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) -1.23 -4.72 -16.6 2 6 0 99 203.223 1
Mid Mid (pH 6-8) -1.23 -4.43 -59.15 3 6 1 101 204.231 1

Activity (Go SEA)

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

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