UCSF

ZINC16954476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 26 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) 2.72 2.92 -17.41 1 7 0 93 396.49 5
Hi High (pH 8-9.5) 2.72 3 -45.55 0 7 -1 95 395.482 5

Activity (Go SEA)

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