UCSF

ZINC27229925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 27 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) 4.59 8.4 -131.5 1 6 -2 100 375.409 4
Mid Mid (pH 6-8) 4.59 8.79 -86.61 2 6 -1 98 376.417 4

Activity (Go SEA)

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