UCSF

ZINC19293866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 22 Yes

Other Names:

MFCD02622074

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) 3.31 9.46 -41.51 1 2 1 8 303.376 4
Mid Mid (pH 6-8) 3.31 7.14 -5.07 0 2 0 6 302.368 4

Activity (Go SEA)

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