UCSF

ZINC21810621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.74 0.25 -24.72 5 6 0 111 322.415 5
Mid Mid (pH 6-8) 0.74 0.72 -60.92 6 6 1 112 323.423 5

Activity (Go SEA)

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