UCSF

ZINC04586345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 26 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) 2.51 -4.34 -14.95 0 6 0 66 392.502 3

Activity (Go SEA)

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