UCSF

ZINC22159639

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.29 0.02 -52.06 2 7 -1 115 266.258 4
Mid Mid (pH 6-8) 0.29 0.09 -97.76 1 7 -2 117 265.25 4
Mid Mid (pH 6-8) 0.29 0.53 -83.55 2 7 -1 118 266.258 4

Activity (Go SEA)

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