UCSF

ZINC44513487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 0.66 8.78 -106.44 4 5 2 62 275.4 3
Hi High (pH 8-9.5) 0.66 6.53 -54.81 3 5 1 61 274.392 3

Activity (Go SEA)

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