UCSF

ZINC00355804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

Other Names:

MFCD02372918

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) 5.06 3.91 -6.14 0 2 0 36 348.393 4
Lo Low (pH 4.5-6) 5.06 4.01 -30.79 1 2 1 37 349.401 4

Activity (Go SEA)

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