UCSF

ZINC41074092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 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) 0.92 6.15 -56.5 1 7 -1 108 305.291 5
Hi High (pH 8-9.5) 1.37 4.06 -115.17 0 7 -2 111 304.283 5

Activity (Go SEA)

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

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