UCSF

ZINC62770063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 14 No

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) 0.55 3.01 -12.04 1 4 0 59 193.202 2
Hi High (pH 8-9.5) 0.73 0.44 -45.6 0 4 -1 66 192.194 2

Activity (Go SEA)

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

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