UCSF

ZINC14224982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 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) 4.40 4.51 -42.84 1 8 -1 113 516.404 8
Hi High (pH 8-9.5) 4.40 4.63 -97.12 0 8 -2 115 515.396 8
Lo Low (pH 4.5-6) 4.40 4.52 -15.56 2 8 0 111 517.412 8

Activity (Go SEA)

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

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