UCSF

ZINC13080647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 31 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) 5.76 12.65 -27.91 2 4 0 58 479.418 3
Mid Mid (pH 6-8) 5.71 -15.52 -78.7 1 4 0 59 479.418 3
Mid Mid (pH 6-8) 5.87 12.93 -27.29 1 4 0 59 479.418 3

Activity (Go SEA)

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