UCSF

ZINC33368633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 15 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) -0.03 -0.12 -40.98 0 5 -1 71 202.193 1
Mid Mid (pH 6-8) -0.48 1.68 -9.53 1 5 0 68 203.201 1
Lo Low (pH 4.5-6) -0.48 2.14 -47.56 2 5 1 69 204.209 1
Lo Low (pH 4.5-6) -0.03 0.34 -64.62 1 5 0 72 203.201 1

Activity (Go SEA)

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

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