UCSF

ZINC42467757

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.96 3.52 -45.82 3 4 1 53 253.366 6
Hi High (pH 8-9.5) 0.96 3.33 -4.77 2 4 0 52 252.358 6
Mid Mid (pH 6-8) 0.96 5.43 -25.47 3 4 1 53 253.366 6

Activity (Go SEA)

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