UCSF

ZINC42811069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) -0.25 -4.61 -41.26 3 8 -1 130 308.361 7
Mid Mid (pH 6-8) -0.25 -4.62 -102.38 2 8 -2 132 307.353 7
Mid Mid (pH 6-8) -0.25 -4.78 -41.49 3 8 -1 130 308.361 7
Mid Mid (pH 6-8) -0.25 -4.77 -16.67 4 8 0 128 309.369 7

Activity (Go SEA)

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