UCSF

ZINC22786425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 4.31 8.3 -34.32 2 4 1 44 330.448 7
Hi High (pH 8-9.5) 4.31 7.13 -6.9 1 4 0 40 329.44 7

Activity (Go SEA)

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