UCSF

ZINC69189993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 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) 1.50 5.79 -49.06 4 6 1 90 306.415 7
Mid Mid (pH 6-8) 1.50 4.69 -16.17 3 6 0 85 305.407 7

Activity (Go SEA)

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

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