UCSF

ZINC36331967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 35 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) 6.20 13.04 -98.63 3 6 2 72 490.003 4
Mid Mid (pH 6-8) 6.20 10.91 -31.64 2 6 1 71 488.995 4
Mid Mid (pH 6-8) 5.93 12.47 -14.34 1 6 0 66 487.987 5

Activity (Go SEA)

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

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