UCSF

ZINC35901294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 3.38 8.82 -100.37 4 4 2 49 404.554 4
Mid Mid (pH 6-8) 3.38 6.93 -39.4 3 4 1 48 403.546 4
Mid Mid (pH 6-8) 3.38 7.42 -39.27 3 4 1 48 403.546 4

Activity (Go SEA)

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