UCSF

ZINC04243672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 No

Other Names:

MFCD03420635

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) 2.12 5.5 -49.29 0 2 -1 40 203.189 3
Ref Reference (pH 7) 2.56 3.76 -38.16 0 2 -1 40 203.189 3
Mid Mid (pH 6-8) 1.37 3.02 -13.31 0 2 0 34 204.197 4

Activity (Go SEA)

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