UCSF

ZINC36473008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 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) -2.29 -0.14 -53.26 2 5 -1 89 174.176 5

Activity (Go SEA)

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