UCSF

ZINC42768028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 2.20 4.19 -29.22 2 2 1 16 199.362 3
Mid Mid (pH 6-8) 2.20 3.33 -37.37 2 2 1 20 199.362 3
Lo Low (pH 4.5-6) 2.20 5.54 -99.01 3 2 2 21 200.37 3

Activity (Go SEA)

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