UCSF

ZINC04552242

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 26 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) 7.92 13.45 -32.64 3 3 1 28 362.626 15
Mid Mid (pH 6-8) 7.92 13.63 -77.59 4 3 2 33 363.634 15
Lo Low (pH 4.5-6) 7.92 13.64 -95.01 4 3 2 33 363.634 15

Activity (Go SEA)

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