UCSF

ZINC41721623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 3.42 5.35 -29.89 2 3 1 44 238.266 2
Hi High (pH 8-9.5) 3.42 4.93 -8.27 1 3 0 42 237.258 2

Activity (Go SEA)

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