UCSF

ZINC18152122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 26 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) 6.02 7.61 -8.98 2 5 0 78 428.311 1
Mid Mid (pH 6-8) 5.99 5.62 -102.32 0 5 -2 80 426.295 2
Mid Mid (pH 6-8) 6.48 5.68 -40.91 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.48 6.08 -39.68 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.48 6.5 -45.67 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.93 4.52 -104.48 0 5 -2 84 426.295 1
Mid Mid (pH 6-8) 6.48 5.81 -47.07 1 5 -1 81 427.303 1
Mid Mid (pH 6-8) 6.93 3.85 -106.49 0 5 -2 84 426.295 1

Activity (Go SEA)

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