UCSF

ZINC42207596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 Yes

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) 3.91 7.8 -48.13 2 2 1 40 197.346 8
Hi High (pH 8-9.5) 3.91 6.77 -4.5 1 2 0 36 196.338 8

Activity (Go SEA)

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