UCSF

ZINC37856122

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.39 3.74 -41.04 3 3 1 40 255.426 5
Mid Mid (pH 6-8) 2.39 5.29 -32.56 3 3 1 37 255.426 5
Lo Low (pH 4.5-6) 2.39 6.06 -112.58 4 3 2 41 256.434 5

Activity (Go SEA)

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