UCSF

ZINC20268031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Other Names:

MFCD08454664

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) 0.38 -0 -42.59 4 3 1 57 182.243 4
Hi High (pH 8-9.5) 0.38 -0.31 -6.24 3 3 0 55 181.235 4

Activity (Go SEA)

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