UCSF

ZINC59782820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 34 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) 9.55 21.8 -46.27 0 4 -1 66 481.782 26
Lo Low (pH 4.5-6) 9.55 19.81 -8.07 1 4 0 64 482.79 26

Activity (Go SEA)

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