UCSF

ZINC08872062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 38 No

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) 5.40 20.89 -18 1 11 0 118 519.606 10
Lo Low (pH 4.5-6) 5.40 21.21 -35.89 2 11 1 119 520.614 10

Activity (Go SEA)

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