UCSF

ZINC08382821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2006 23 Yes

Other Names:

MFCD08728430

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) 5.36 11.41 -22.51 2 3 0 34 317.497 7
Mid Mid (pH 6-8) 5.36 11.34 -8.67 1 3 0 32 316.489 7

Activity (Go SEA)

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