UCSF

ZINC37106554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.46 8.64 -77.51 3 4 2 36 264.417 4
Mid Mid (pH 6-8) 1.46 7.9 -37.29 2 4 1 34 263.409 4
Lo Low (pH 4.5-6) 1.46 9.8 -183.19 4 4 3 40 265.425 4
Lo Low (pH 4.5-6) 1.46 7.57 -101.47 3 4 2 39 264.417 4

Activity (Go SEA)

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