UCSF

ZINC05595984

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 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) 3.71 12.13 -54.93 0 7 -1 106 413.409 6
Mid Mid (pH 6-8) 4.16 0.91 -17.72 1 7 0 103 414.417 5

Activity (Go SEA)

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