UCSF

ZINC37813074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.71 4.19 -45.15 3 5 1 74 231.316 8
Hi High (pH 8-9.5) 0.71 3.84 -10.02 2 5 0 73 230.308 8

Activity (Go SEA)

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