UCSF

ZINC20840266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 3.41 7.7 -11.92 2 7 0 127 401.47 5
Lo Low (pH 4.5-6) 3.41 7.51 -53.92 3 7 1 129 402.478 5

Activity (Go SEA)

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