UCSF

ZINC64976577

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 24 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) 2.30 2.32 -46.47 2 7 -1 114 364.79 4
Mid Mid (pH 6-8) 2.27 2.13 -129.34 3 7 2 109 365.798 4
Mid Mid (pH 6-8) 2.30 1.88 -17.53 3 7 0 112 365.798 4

Activity (Go SEA)

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

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