UCSF

ZINC53445987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 2.22 6.11 -39.7 2 4 1 42 281.42 12
Mid Mid (pH 6-8) 2.22 7.17 -31.96 2 4 1 39 281.42 12
Mid Mid (pH 6-8) 2.22 8.53 -114.34 3 4 2 43 282.428 12

Activity (Go SEA)

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

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