UCSF

ZINC22944491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 4.32 10.24 -39.01 1 3 1 17 335.471 1
Hi High (pH 8-9.5) 4.32 8.44 -4.47 0 3 0 16 334.463 1

Activity (Go SEA)

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