UCSF

ZINC04245259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 No

Other Names:

MFCD06739571

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) 3.17 6.51 -12 2 6 0 98 287.3 3
Lo Low (pH 4.5-6) 3.17 6.77 -42.47 3 6 1 99 288.308 3

Activity (Go SEA)

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