UCSF

ZINC21009225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.24 8.67 -57.08 1 6 1 71 312.777 4
Mid Mid (pH 6-8) 2.24 6.34 -12.72 0 6 0 69 311.769 4

Activity (Go SEA)

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