UCSF

ZINC01953633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 No

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) 6.39 6.78 -8.9 2 4 0 65 444.137 2
Hi High (pH 8-9.5) 6.85 5.52 -97.9 0 4 -2 71 442.121 2
Hi High (pH 8-9.5) 6.85 5.83 -95.51 0 4 -2 71 442.121 2
Mid Mid (pH 6-8) 5.91 7.33 -89.57 0 4 -2 67 442.121 3
Mid Mid (pH 6-8) 6.39 7.55 -34.2 1 4 -1 68 443.129 2
Mid Mid (pH 6-8) 5.91 7.13 -39.67 1 4 -1 64 443.129 3
Mid Mid (pH 6-8) 6.39 7.85 -33.79 1 4 -1 68 443.129 2

Activity (Go SEA)

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