UCSF

ZINC35483261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.63 8.34 -11.16 0 4 0 36 285.322 2
Mid Mid (pH 6-8) 2.63 8.76 -33.38 1 4 1 38 286.33 2

Activity (Go SEA)

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