UCSF

ZINC25181448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 2.64 8.81 -16.46 1 5 0 53 377.488 5
Mid Mid (pH 6-8) 2.64 11.08 -48.37 2 5 1 54 378.496 5

Activity (Go SEA)

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