UCSF

ZINC05849389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 4.45 0.73 -13.16 1 5 0 70 407.491 6
Mid Mid (pH 6-8) 3.86 0.6 -19.97 0 5 0 67 407.491 6

Activity (Go SEA)

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