UCSF

ZINC11934536

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 30 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) 2.74 0.09 -94.3 3 5 2 51 407.558 11
Lo Low (pH 4.5-6) 2.74 0.2 -166.45 4 5 3 52 408.566 11

Activity (Go SEA)

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