UCSF

ZINC27417715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 25 Yes

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) 0.01 7.02 -116.89 2 6 0 82 345.374 5
Hi High (pH 8-9.5) 0.01 5.71 -66.45 1 6 -1 77 344.366 5
Mid Mid (pH 6-8) -2.73 6.07 -88.14 3 6 1 85 346.382 4

Activity (Go SEA)

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