UCSF

ZINC41671409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 Yes

Other Names:

MFCD14632009

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) 2.09 7.86 -91.8 3 3 2 36 223.364 4
Hi High (pH 8-9.5) 2.09 7.38 -48.53 2 3 1 34 222.356 4

Activity (Go SEA)

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