UCSF

ZINC17146424

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 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) 2.51 5.62 -64.53 1 8 -1 108 440.472 10
Mid Mid (pH 6-8) 1.93 5.88 -15.53 1 8 0 102 441.48 10
Mid Mid (pH 6-8) 2.51 5.52 -14.65 2 8 0 106 441.48 10

Activity (Go SEA)

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