UCSF

ZINC36498588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 26 No

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) 2.39 0.67 -47.29 2 7 -1 115 371.756 2
Hi High (pH 8-9.5) 2.39 1.59 -97.94 1 7 -2 118 370.748 2

Activity (Go SEA)

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