UCSF

ZINC53148232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 4.15 6.78 -4.64 3 2 0 38 300.711 4
Lo Low (pH 4.5-6) 4.15 6.65 -46.78 4 2 1 40 301.719 4

Activity (Go SEA)

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