UCSF

ZINC11933774

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 33 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) 4.23 0.23 -50.41 1 6 1 56 450.603 7
Lo Low (pH 4.5-6) 4.23 0.34 -100.6 2 6 2 57 451.611 7

Activity (Go SEA)

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