UCSF

ZINC48326579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 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) 4.10 8.84 -33.78 2 4 1 43 317.453 9
Hi High (pH 8-9.5) 4.10 6.79 -7.91 1 4 0 42 316.445 9

Activity (Go SEA)

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