UCSF

ZINC39233459

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 15 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) 2.24 7.04 -7.93 1 3 0 30 201.273 3
Mid Mid (pH 6-8) 2.24 7.1 -23.03 2 3 1 31 202.281 3
Lo Low (pH 4.5-6) 2.24 6.91 -36.92 2 3 1 34 202.281 3

Activity (Go SEA)

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