UCSF

ZINC28005417

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 17 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) 0.68 2.58 -32.44 2 4 1 45 241.355 3
Hi High (pH 8-9.5) 0.68 0.41 -7.82 1 4 0 44 240.347 3
Mid Mid (pH 6-8) 0.68 2.57 -34.75 2 4 1 45 241.355 3

Activity (Go SEA)

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