UCSF

ZINC95630018

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2014 21 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) 2.59 8.18 -6.73 5 5 0 89 299.765 2
Mid Mid (pH 6-8) 2.59 8.19 -6.56 5 5 0 89 299.765 2
Mid Mid (pH 6-8) 2.59 8.14 -33.28 6 5 1 91 300.773 2

Activity (Go SEA)

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

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