UCSF

ZINC17971947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 26 Yes

Other Names:

MFCD02167576

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) 0.72 6.77 -23.95 3 9 0 120 356.386 3
Mid Mid (pH 6-8) 1.18 5.24 -74.7 2 9 -1 123 355.378 3

Activity (Go SEA)

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