UCSF

ZINC37828525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.90 3.61 -7.85 0 4 0 33 260.765 3
Mid Mid (pH 6-8) 0.90 5.82 -41.42 1 4 1 34 261.773 3

Activity (Go SEA)

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