UCSF

ZINC49478029

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 0.47 6.85 -100.26 3 4 1 61 215.317 7
Hi High (pH 8-9.5) 0.47 5.51 -60.7 2 4 0 57 214.309 7
Mid Mid (pH 6-8) 0.47 4.63 -49.33 2 4 0 60 214.309 7

Activity (Go SEA)

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