UCSF

ZINC19964278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 Yes

Other Names:

MFCD12552782

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) 3.54 5.85 -6.6 2 3 0 41 257.333 4
Hi High (pH 8-9.5) 3.54 6.64 -46.85 1 3 -1 44 256.325 4

Activity (Go SEA)

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