UCSF

ZINC44651757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.69 2.51 -38.61 3 3 1 42 214.358 7
Hi High (pH 8-9.5) 0.69 1.16 -4.09 2 3 0 37 213.35 7
Mid Mid (pH 6-8) 0.69 3.86 -115.19 4 3 2 46 215.366 7

Activity (Go SEA)

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