UCSF

ZINC08744255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 37 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) 5.16 12.13 -60.97 0 8 -1 109 519.599 8
Mid Mid (pH 6-8) 5.61 12.09 -22.72 1 8 0 106 520.607 7
Mid Mid (pH 6-8) 4.58 12.39 -13.58 0 8 0 103 520.607 8

Activity (Go SEA)

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