UCSF

ZINC00726919

Substance Information

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

Other Names:

MFCD00496222

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) 5.93 0.15 -9.68 1 4 0 47 402.519 6
Mid Mid (pH 6-8) 5.93 0.35 -33.41 2 4 1 48 403.527 6

Activity (Go SEA)

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