UCSF

ZINC04084523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 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) 3.56 -3.13 -14.98 2 5 0 65 413.502 3

Activity (Go SEA)

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