UCSF

ZINC55517522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 25 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) 2.32 10.27 -18.48 0 5 0 51 334.423 4
Mid Mid (pH 6-8) 2.32 10.67 -31.6 1 5 1 52 335.431 4

Activity (Go SEA)

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