UCSF

ZINC26390468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.21 5.74 -130.27 4 4 2 52 336.382 4
Hi High (pH 8-9.5) 3.21 3.15 -8.07 2 4 0 43 334.366 4
Mid Mid (pH 6-8) 3.21 5.63 -42.17 3 4 1 47 335.374 4
Mid Mid (pH 6-8) 3.21 4.4 -42.68 3 4 1 47 335.374 4

Activity (Go SEA)

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