UCSF

ZINC42945097

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.51 8.41 -131.5 4 3 2 45 305.853 6
Mid Mid (pH 6-8) 2.51 5.49 -50.19 3 3 1 44 304.845 6
Mid Mid (pH 6-8) 2.51 7.98 -40.23 3 3 1 43 304.845 6
Lo Low (pH 4.5-6) 2.51 5.96 -94.66 4 3 2 45 305.853 6

Activity (Go SEA)

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