UCSF

ZINC19503963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 Yes

CAS Number: 1103225-71-3

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) 1.44 4.63 -45.46 3 4 1 51 290.431 5
Hi High (pH 8-9.5) 1.44 4.3 -8.63 2 4 0 50 289.423 5
Mid Mid (pH 6-8) 1.44 6.96 -105.86 4 4 2 52 291.439 5

Activity (Go SEA)

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