UCSF

ZINC19912415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Other Names:

MFCD12552054

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) 4.25 6.32 -5.98 2 3 0 41 271.36 5
Hi High (pH 8-9.5) 4.25 7.12 -45.93 1 3 -1 44 270.352 5

Activity (Go SEA)

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