UCSF

ZINC13660217

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 0.36 -1.14 -19.44 4 9 0 142 431.441 7
Mid Mid (pH 6-8) 0.54 -3.91 -68.33 3 9 -1 149 430.433 7

Activity (Go SEA)

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