UCSF

ZINC02797366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 27 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) 4.31 13.05 -14.07 0 5 0 52 354.413 3
Mid Mid (pH 6-8) 4.31 13.57 -32.27 1 5 1 54 355.421 3
Lo Low (pH 4.5-6) 4.31 13.39 -35.87 1 5 1 54 355.421 3

Activity (Go SEA)

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