UCSF

ZINC20729287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 1.42 6.08 -17.42 1 8 0 95 365.393 4
Ref Reference (pH 7) 1.23 8.85 -15.46 1 8 0 91 365.393 4

Activity (Go SEA)

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