UCSF

ZINC19777321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 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) 2.38 7.51 -83.02 3 4 2 40 300.83 7
Hi High (pH 8-9.5) 2.38 4.97 -48.03 2 4 1 38 299.822 7

Activity (Go SEA)

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