UCSF

ZINC49538617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 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) 5.03 14.08 -13.23 0 8 0 98 437.459 3
Mid Mid (pH 6-8) 5.03 14.61 -14.59 1 8 0 99 438.467 3

Activity (Go SEA)

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

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