UCSF

ZINC20518346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 34 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) 3.35 9.44 -14.67 0 8 0 86 460.534 7
Mid Mid (pH 6-8) 3.35 11.66 -44.65 1 8 1 88 461.542 7

Activity (Go SEA)

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