UCSF

ZINC37044798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.67 1.99 -69.01 3 7 0 98 276.325 3
Mid Mid (pH 6-8) 0.67 0.62 -50.36 2 7 -1 94 275.317 3
Lo Low (pH 4.5-6) 0.67 2.08 -49.79 4 7 1 100 277.333 3

Activity (Go SEA)

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