UCSF

ZINC05442944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 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) 3.39 9.55 -8.53 1 2 0 29 279.383 2
Mid Mid (pH 6-8) 4.36 8.28 -6.53 2 2 0 34 280.391 2

Activity (Go SEA)

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