UCSF

ZINC03365417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 29 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) 3.49 5.81 -15.46 2 6 0 85 414.458 7
Mid Mid (pH 6-8) 3.49 5.93 -50.14 1 6 -1 87 413.45 7

Activity (Go SEA)

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