UCSF

ZINC12585412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 26 No

Other Names:

MFCD02147050

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) 2.98 8.4 -9.48 1 5 0 62 375.4 3
Ref Reference (pH 7) 2.98 7.86 -10.45 1 5 0 62 375.4 3

Activity (Go SEA)

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