UCSF

ZINC19632656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 1.11 8.26 -88.22 2 4 2 25 280.46 10
Hi High (pH 8-9.5) 1.11 5.41 -40.88 1 4 1 24 279.452 10
Mid Mid (pH 6-8) 1.11 7.94 -109.15 2 4 2 25 280.46 10

Activity (Go SEA)

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