UCSF

ZINC42561068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 2.26 6.51 -44.67 3 3 1 44 222.356 5
Hi High (pH 8-9.5) 2.26 6.23 -3.3 2 3 0 42 221.348 5
Mid Mid (pH 6-8) 2.26 7.01 -98.8 4 3 2 45 223.364 5

Activity (Go SEA)

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