UCSF

ZINC43476599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.81 2.05 -6.62 2 2 0 32 239.624 4
Hi High (pH 8-9.5) 2.81 2.81 -42.4 1 2 -1 35 238.616 4
Mid Mid (pH 6-8) 2.81 3.41 -51.34 3 2 1 37 240.632 4

Activity (Go SEA)

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