UCSF

ZINC14246551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 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) 1.64 6.52 -51.33 1 9 1 92 467.612 8
Hi High (pH 8-9.5) 1.64 4.32 -15.1 0 9 0 90 466.604 8
Mid Mid (pH 6-8) 1.64 6.63 -51.49 1 9 1 92 467.612 8

Activity (Go SEA)

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