UCSF

ZINC58945865

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 31 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) 3.96 8.87 -11.8 1 7 0 80 441.553 8
Lo Low (pH 4.5-6) 0.30 9.87 -37.83 2 7 1 80 442.561 9

Activity (Go SEA)

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