UCSF

ZINC16770002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 26 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) 3.69 10.59 -56.45 0 7 -1 100 385.45 5
Ref Reference (pH 7) 3.69 9.62 -59.1 0 7 -1 100 385.45 5

Activity (Go SEA)

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