UCSF

ZINC21954896

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.63 8.94 -25.65 2 7 0 101 482.612 8
Hi High (pH 8-9.5) 4.69 8.1 -100.36 0 7 -2 109 480.596 8
Mid Mid (pH 6-8) 4.69 8.04 -51.82 1 7 -1 107 481.604 8
Mid Mid (pH 6-8) 4.63 9.01 -52.71 1 7 -1 103 481.604 8

Activity (Go SEA)

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