UCSF

ZINC17163311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 No

Other Names:

MFCD03668315

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) 2.33 6.22 -58.64 0 8 -1 107 477.946 8
Mid Mid (pH 6-8) 2.78 6.29 -18.24 1 8 0 104 478.954 7

Activity (Go SEA)

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