UCSF

ZINC08444552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 Yes

Other Names:

MFCD01923204

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) 5.44 11.19 -10.44 2 5 0 59 462.903 5
Mid Mid (pH 6-8) 5.62 11.62 -34.02 3 5 1 64 463.911 5

Activity (Go SEA)

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