UCSF

ZINC70287788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 21 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) 1.25 2.33 -43.41 3 5 1 59 313.805 3
Hi High (pH 8-9.5) 1.25 1.96 -5.24 2 5 0 57 312.797 3
Lo Low (pH 4.5-6) 1.25 3.96 -109.68 4 5 2 60 314.813 3

Activity (Go SEA)

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

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