UCSF

ZINC20440994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 35 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) -1.74 10.26 -31.9 2 9 1 97 473.557 5
Mid Mid (pH 6-8) -1.74 12.61 -86.57 3 9 2 98 474.565 5

Activity (Go SEA)

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