UCSF

ZINC20722832

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) 1.18 6.05 -18.15 1 6 0 76 311.37 2
Ref Reference (pH 7) 1.00 8.8 -17.07 1 6 0 73 311.37 2

Activity (Go SEA)

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