UCSF

ZINC70006056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 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) 0.80 7.09 -44.9 1 7 1 68 315.401 5
Mid Mid (pH 6-8) 0.80 6.93 -23.62 0 7 0 67 314.393 5
Mid Mid (pH 6-8) 0.80 7.07 -45.66 1 7 1 68 315.401 5

Activity (Go SEA)

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

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