UCSF

ZINC15016495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 5.81 8.68 -8.18 1 5 0 67 404.278 1
Mid Mid (pH 6-8) 6.27 6.28 -38.38 0 5 -1 70 403.27 1
Mid Mid (pH 6-8) 6.27 6.73 -40.01 0 5 -1 70 403.27 1

Activity (Go SEA)

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