UCSF

ZINC20719280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 22 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) 2.12 -2.5 -11.89 2 6 0 85 301.346 2
Ref Reference (pH 7) 1.86 3.42 -15.95 2 6 0 79 301.346 2

Activity (Go SEA)

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