UCSF

ZINC22022808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 4.64 9.29 -8.16 0 4 0 38 351.425 3
Mid Mid (pH 6-8) 4.64 9.39 -10.11 0 4 0 38 351.425 3
Mid Mid (pH 6-8) 4.64 11.59 -43.14 1 4 1 39 352.433 3
Mid Mid (pH 6-8) 4.64 11.12 -44.27 1 4 1 39 352.433 3

Activity (Go SEA)

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