UCSF

ZINC19924478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 Yes

Other Names:

MFCD04182513

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) 4.72 11.29 -51.27 2 7 1 90 426.489 9
Hi High (pH 8-9.5) 4.72 12.07 -37.52 1 7 0 93 425.481 9

Activity (Go SEA)

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