UCSF

ZINC45348751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 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) 2.34 7.86 -106.14 4 4 2 49 348.531 6
Hi High (pH 8-9.5) 2.34 5.88 -41.3 3 4 1 48 347.523 6

Activity (Go SEA)

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