UCSF

ZINC70319849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 17 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) 1.37 4.16 -37.71 3 3 1 40 233.335 2
Hi High (pH 8-9.5) 1.37 3.01 -4.43 2 3 0 35 232.327 2
Lo Low (pH 4.5-6) 1.37 4.78 -87 4 3 2 41 234.343 2

Activity (Go SEA)

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

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