UCSF

ZINC37039597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.13 3.93 -94.84 4 5 2 56 284.448 4
Mid Mid (pH 6-8) 0.13 1.78 -48.43 3 5 1 54 283.44 4
Lo Low (pH 4.5-6) 0.13 4.06 -119.66 4 5 2 56 284.448 4

Activity (Go SEA)

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