UCSF

ZINC08408114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 37 Yes

Other Names:

MFCD01142571

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) 9.41 1.17 -10.83 1 1 0 28 494.663 2
Mid Mid (pH 6-8) 9.41 1.37 -34.33 2 2 1 29 495.671 6

Activity (Go SEA)

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