UCSF

ZINC29549132

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 29 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) 3.52 11.32 -43.56 1 5 1 37 394.539 6
Mid Mid (pH 6-8) 3.52 9 -9.49 0 5 0 36 393.531 6

Activity (Go SEA)

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