UCSF

ZINC20745778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 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) 4.20 9.21 -10.74 1 6 0 71 420.9 4
Ref Reference (pH 7) 4.01 11.62 -9.33 1 6 0 67 420.9 4

Activity (Go SEA)

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