UCSF

ZINC05409052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 No

Other Names:

MFCD03044357

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) 2.67 7.23 -48.72 1 5 -1 81 368.384 5
Mid Mid (pH 6-8) 2.09 -1.06 -16.99 1 5 0 74 369.392 5
Mid Mid (pH 6-8) 3.12 5.68 -27.46 2 5 0 78 369.392 4

Activity (Go SEA)

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