UCSF

ZINC70096751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 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) -1.53 3.23 -110.24 4 6 2 76 246.318 3
Hi High (pH 8-9.5) -1.53 3.19 -29.71 3 6 1 74 245.31 3
Hi High (pH 8-9.5) -1.53 2.52 -9.26 2 6 0 73 244.302 3
Hi High (pH 8-9.5) -1.53 2.76 -58.2 3 6 1 74 245.31 3

Activity (Go SEA)

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

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