UCSF

ZINC36612791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 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) 4.09 8.22 -16.16 2 7 0 94 409.866 8
Hi High (pH 8-9.5) 4.09 9.13 -61.6 1 7 -1 97 408.858 8

Activity (Go SEA)

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