UCSF

ZINC42914365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.64 7.8 -129.34 4 3 2 45 287.382 4
Hi High (pH 8-9.5) 1.64 7.75 -36.45 3 3 1 43 286.374 4
Mid Mid (pH 6-8) 1.64 6.05 -48.24 3 3 1 44 286.374 4
Lo Low (pH 4.5-6) 1.64 6.51 -110.19 4 3 2 45 287.382 4

Activity (Go SEA)

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