UCSF

ZINC19637420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 15 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) 2.42 6.46 -34.64 1 2 1 8 227.397 7
Hi High (pH 8-9.5) 2.42 4.15 -2.02 0 2 0 6 226.389 7

Activity (Go SEA)

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