UCSF

ZINC19903568

Substance Information

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

Other Names:

MFCD12623530

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) 4.45 4.63 -8.86 2 3 0 41 298.169 4
Hi High (pH 8-9.5) 4.45 5.42 -36.27 1 3 -1 44 297.161 4

Activity (Go SEA)

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