UCSF

ZINC22387936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 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) 4.31 9.36 -11.88 1 4 0 45 383.904 4
Mid Mid (pH 6-8) 4.31 11.55 -51.37 2 4 1 46 384.912 4

Activity (Go SEA)

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