UCSF

ZINC37140924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.75 9.2 -37.24 2 5 1 62 290.387 5
Mid Mid (pH 6-8) 2.75 7.79 -45.87 2 5 1 66 290.387 5
Lo Low (pH 4.5-6) 2.75 10 -114.26 3 5 2 67 291.395 5

Activity (Go SEA)

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