UCSF

ZINC27766285

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 19 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) 0.52 3.85 -49.02 4 5 1 79 263.317 5
Hi High (pH 8-9.5) 0.52 3.55 -9.43 3 5 0 77 262.309 5

Activity (Go SEA)

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