UCSF

ZINC21008353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 1.73 2.77 -40.75 5 5 1 80 312.821 5
Hi High (pH 8-9.5) 1.73 0.51 -10.32 4 5 0 79 311.813 5

Activity (Go SEA)

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