UCSF

ZINC25681549

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 22 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) 2.44 4.16 -14.53 2 5 0 71 319.43 4
Mid Mid (pH 6-8) 2.44 4.55 -36.48 3 5 1 72 320.438 4

Activity (Go SEA)

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