UCSF

ZINC01452350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 21 No

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) 4.88 8.18 -43.46 0 3 -1 44 313.427 3
Hi High (pH 8-9.5) 5.82 6.9 -48.32 0 3 -1 48 313.427 2
Mid Mid (pH 6-8) 4.88 8.63 -13.61 1 3 0 42 314.435 3

Activity (Go SEA)

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