UCSF

ZINC26893702

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 32 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) 2.62 8.65 -110.28 2 8 -2 138 450.576 15
Lo Low (pH 4.5-6) 2.62 7.53 -59.17 3 8 -1 136 451.584 15

Activity (Go SEA)

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