UCSF

ZINC36156109

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 0.30 1.45 -45.44 2 4 1 43 171.22 0
Hi High (pH 8-9.5) 0.30 -0.93 -10.51 1 4 0 42 170.212 0

Activity (Go SEA)

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