UCSF

ZINC44649877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.24 3.35 -42.57 2 5 1 49 270.397 6
Hi High (pH 8-9.5) 0.24 2 -8.46 1 5 0 45 269.389 6
Mid Mid (pH 6-8) 0.24 5.56 -97.12 3 5 2 51 271.405 6

Activity (Go SEA)

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