UCSF

ZINC13569138

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 Yes

Other Names:

F1912-0068

MFCD07375427

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) 2.06 0.64 -121.75 0 5 -2 81 230.223 1
Mid Mid (pH 6-8) 1.60 3.17 -39.57 1 5 -1 78 231.231 1

Activity (Go SEA)

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