UCSF

ZINC35177019

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 2.22 -0.45 -42.96 1 7 -1 108 327.363 5
Mid Mid (pH 6-8) 1.76 1.58 -13.29 2 7 0 105 328.371 5
Mid Mid (pH 6-8) 2.22 -0.4 -95.26 0 7 -2 110 326.355 5
Mid Mid (pH 6-8) 1.76 1.74 -38.44 1 7 -1 107 327.363 5

Activity (Go SEA)

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