UCSF

ZINC44651588

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.59 4.87 -46.7 3 4 1 59 240.352 4
Hi High (pH 8-9.5) 2.15 2.73 -7.78 2 4 0 57 239.344 3
Mid Mid (pH 6-8) 1.41 3.63 -40.75 2 4 0 65 239.344 4

Activity (Go SEA)

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