UCSF

ZINC04992513

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 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) 2.79 6.35 -14.78 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 6.01 -13.14 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 7.01 -22.14 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 6.01 -15.23 1 8 0 94 391.431 5

Activity (Go SEA)

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