UCSF

ZINC36135497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 13 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) -0.87 0.29 -42.21 4 4 1 68 187.263 2
Hi High (pH 8-9.5) -0.87 -0.05 -6.92 3 4 0 67 186.255 2

Activity (Go SEA)

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