UCSF

ZINC49975607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 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 5.03 -15.36 2 5 0 59 288.395 6
Mid Mid (pH 6-8) 2.33 6.39 -51.13 3 5 1 64 289.403 6
Mid Mid (pH 6-8) 2.33 5.53 -31.43 3 5 1 60 289.403 6
Lo Low (pH 4.5-6) 2.33 6.89 -113.35 4 5 2 65 290.411 6

Activity (Go SEA)

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