UCSF

ZINC19720694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 23 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) 2.46 4.85 -64.24 2 6 1 63 316.333 5
Hi High (pH 8-9.5) 2.46 3.44 -12.82 1 6 0 58 315.325 5

Activity (Go SEA)

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