UCSF

ZINC12541308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 36 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) 5.09 16.02 -14.12 1 10 0 128 502.918 7
Hi High (pH 8-9.5) 5.27 16.1 -13.37 1 10 0 131 502.918 7
Hi High (pH 8-9.5) 5.27 15.71 -32.71 0 10 -1 129 501.91 7

Activity (Go SEA)

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