UCSF

ZINC43259380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.42 7.21 -42.19 3 2 1 31 346.358 4
Hi High (pH 8-9.5) 4.42 6.91 -0.87 2 2 0 29 345.35 4
Mid Mid (pH 6-8) 4.42 8.62 -33.55 3 2 1 30 346.358 4
Mid Mid (pH 6-8) 4.42 8.93 -113.8 4 2 2 32 347.366 4

Activity (Go SEA)

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