UCSF

ZINC36755378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 3.17 5.2 -6.96 1 3 0 46 240.715 2
Hi High (pH 8-9.5) 3.63 3.27 -44.6 0 3 -1 49 239.707 2

Activity (Go SEA)

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