UCSF

ZINC00673855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD01922331

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) 5.41 8.73 -13.25 2 5 0 59 505.747 4
Mid Mid (pH 6-8) 5.59 9.29 -34.27 3 5 1 64 506.755 4

Activity (Go SEA)

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