UCSF

ZINC37803954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.23 4.46 -48.96 4 4 1 64 258.345 2
Hi High (pH 8-9.5) 1.23 4.14 -11.16 3 4 0 62 257.337 2

Activity (Go SEA)

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