UCSF

ZINC04070679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 31 Yes

Other Names:

MFCD03786447

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) 3.63 9.58 -13 2 9 0 103 420.473 7
Lo Low (pH 4.5-6) 3.81 9.91 -32.36 3 9 1 108 421.481 7

Activity (Go SEA)

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