UCSF

ZINC40104867

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) 1.73 7.78 -17.32 1 7 0 73 412.515 5
Mid Mid (pH 6-8) 1.73 10.01 -55 2 7 1 74 413.523 5

Activity (Go SEA)

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