UCSF

ZINC09357785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 26 Yes

Other Names:

MFCD00981560

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) 4.39 8.17 -21.42 1 6 0 73 410.282 5
Mid Mid (pH 6-8) 4.46 7.26 -43.53 0 6 -1 80 409.274 5

Activity (Go SEA)

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