UCSF

ZINC36537241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 31 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) 1.98 -0.22 -15.05 5 9 0 139 435.521 7

Activity (Go SEA)

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