UCSF

ZINC42915007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.33 7.35 -127.05 4 3 2 45 278.371 6
Mid Mid (pH 6-8) 2.33 5.44 -51.82 3 3 1 44 277.363 6
Mid Mid (pH 6-8) 2.33 7.05 -35.4 3 3 1 44 277.363 6

Activity (Go SEA)

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