UCSF

ZINC43805476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 2.96 8.81 -89.77 3 3 2 24 257.466 7
Hi High (pH 8-9.5) 2.96 6.53 -31.87 2 3 1 23 256.458 7
Mid Mid (pH 6-8) 2.96 7.03 -110.18 3 3 2 24 257.466 7

Activity (Go SEA)

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