UCSF

ZINC00137540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD03760989

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) 4.36 6.87 -8.77 2 3 0 41 278.714 2
Hi High (pH 8-9.5) 3.99 4.05 -30.33 1 3 -1 47 277.706 3

Activity (Go SEA)

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