UCSF

ZINC21949430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 0.45 5.16 -10.53 1 5 0 46 228.321 2
Mid Mid (pH 6-8) 1.18 5 -42.58 0 5 -1 43 227.313 2

Activity (Go SEA)

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