UCSF

ZINC36876534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.97 6.01 -39.62 3 4 1 55 294.325 4
Hi High (pH 8-9.5) 2.97 4.59 -8.96 2 4 0 50 293.317 4
Mid Mid (pH 6-8) 2.97 6.45 -113.53 4 4 2 56 295.333 4

Activity (Go SEA)

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

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