UCSF

ZINC24973143

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 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) 5.22 13.05 -247.02 0 7 -3 122 447.425 14
Mid Mid (pH 6-8) 5.22 11.89 -125.63 1 7 -2 119 448.433 14

Activity (Go SEA)

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