UCSF

ZINC21803868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.38 2.74 -21.64 2 5 0 67 327.475 5
Mid Mid (pH 6-8) 1.38 5 -63.05 3 5 1 68 328.483 5

Activity (Go SEA)

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