UCSF

ZINC04333136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 27 No

Other Names:

MFCD02986909

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) 0.56 6.2 -60.4 0 7 -1 99 360.349 5
Lo Low (pH 4.5-6) 1.01 0.06 -54.21 2 7 1 97 362.365 4
Lo Low (pH 4.5-6) 1.01 0.17 -105.15 3 7 2 99 363.373 4
Lo Low (pH 4.5-6) 0.56 5.38 -16.66 1 7 0 97 361.357 5

Activity (Go SEA)

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