UCSF

ZINC39368559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 Yes

Other Names:

MFCD18398950

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) 2.58 4.42 -7.44 1 3 0 47 214.648 4
Hi High (pH 8-9.5) 2.58 5.19 -42.28 0 3 -1 49 213.64 4

Activity (Go SEA)

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