UCSF

ZINC13281229

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 30 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) 2.48 10.46 -22.49 1 10 0 117 413.434 8
Mid Mid (pH 6-8) 2.48 10.94 -60.38 2 10 1 118 414.442 8

Activity (Go SEA)

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