UCSF

ZINC43899652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 3.14 7.31 -104.1 3 2 2 21 214.397 5
Hi High (pH 8-9.5) 3.14 6.19 -31.29 2 2 1 16 213.389 5
Hi High (pH 8-9.5) 3.14 5.12 -35.04 2 2 1 20 213.389 5

Activity (Go SEA)

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