UCSF

ZINC09243849

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 29 No

Other Names:

MFCD04008295

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) 3.05 6.14 -67.65 1 6 -1 90 414.503 9
Mid Mid (pH 6-8) 3.49 -2.16 -23.87 2 6 0 87 415.511 8

Activity (Go SEA)

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