UCSF

ZINC09470953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 Yes

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) 3.99 -2.42 -15.36 1 7 0 71 451.567 8

Activity (Go SEA)

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