UCSF

ZINC04550964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 28 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) 2.15 3.01 -100.25 1 8 -2 111 396.428 5
Mid Mid (pH 6-8) 1.23 6.78 -16.72 3 8 0 105 398.444 5

Activity (Go SEA)

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