UCSF

ZINC12467282

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 31 No

Other Names:

MFCD02955192

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) 7.23 14.27 -7.77 0 4 0 44 428.557 6
Ref Reference (pH 7) 7.23 14.71 -8.06 0 4 0 44 428.557 6

Activity (Go SEA)

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