UCSF

ZINC04167477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 No

Other Names:

MFCD04150382

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) 2.56 2.91 -13.17 3 9 0 125 434.452 6
Ref Reference (pH 7) 2.56 3.57 -14.21 3 9 0 125 434.452 6
Lo Low (pH 4.5-6) 2.56 3.86 -67.27 4 9 1 126 435.46 6

Activity (Go SEA)

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