UCSF

ZINC43703535

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) 0.62 7.93 -104.38 2 5 1 58 257.354 4
Hi High (pH 8-9.5) 0.62 3.36 -46 0 5 -1 56 255.338 4
Mid Mid (pH 6-8) 0.62 5.64 -67.84 1 5 0 57 256.346 4
Mid Mid (pH 6-8) 0.62 5.66 -50.45 1 5 0 57 256.346 4

Activity (Go SEA)

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