UCSF

ZINC36273086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.73 9.03 -46.97 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.73 7.78 -39.03 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.73 6.66 -12.15 2 6 0 59 365.481 5
Mid Mid (pH 6-8) 2.73 8.44 -73.94 4 6 2 61 367.497 5

Activity (Go SEA)

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