UCSF

ZINC04006432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 23 Yes

Other Names:

MFCD00762382

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) 2.53 8.2 -57.93 1 6 -1 96 314.317 5
Lo Low (pH 4.5-6) 2.53 6.49 -16.25 2 6 0 93 315.325 5

Activity (Go SEA)

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