UCSF

ZINC44649978

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 0.10 4.05 -44.7 2 5 1 53 277.392 6
Hi High (pH 8-9.5) 0.10 2.7 -9.72 1 5 0 48 276.384 6
Mid Mid (pH 6-8) 0.10 6.27 -101.26 3 5 2 54 278.4 6
Mid Mid (pH 6-8) 0.10 4.78 -83.96 3 5 2 54 278.4 6

Activity (Go SEA)

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