UCSF

ZINC35901193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.25 -1.18 -225.43 2 13 -3 206 395.181 9
Hi High (pH 8-9.5) -2.79 -1.04 -422.47 0 13 -5 212 393.165 9
Mid Mid (pH 6-8) -3.25 -2.38 -107.61 3 13 -2 203 396.189 9
Mid Mid (pH 6-8) -3.25 1.01 -336.96 1 13 -4 208 394.173 9

Activity (Go SEA)

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