UCSF

ZINC23100490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 22 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) 2.76 2.78 -23.41 4 6 0 102 320.732 5
Hi High (pH 8-9.5) 2.76 3.81 -57.62 3 6 -1 104 319.724 5

Activity (Go SEA)

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