UCSF

ZINC49050767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) -2.96 5.13 -103.85 4 8 1 124 279.276 4
Mid Mid (pH 6-8) -2.96 4.62 -76 3 8 0 123 278.268 4

Activity (Go SEA)

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