UCSF

ZINC09437087

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 26 No

Other Names:

MFCD04006542

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) 0.89 3.59 -68.73 1 7 -1 103 356.354 8
Mid Mid (pH 6-8) 1.34 3.88 -25.03 2 7 0 100 357.362 7
Mid Mid (pH 6-8) 0.31 5.02 -16.14 1 7 0 97 357.362 8

Activity (Go SEA)

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