UCSF

ZINC17824691

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 21 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) 4.88 6.21 -7.29 2 4 0 57 305.309 1
Ref Reference (pH 7) 3.96 6.72 -9.25 2 4 0 54 305.309 2

Activity (Go SEA)

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