UCSF

ZINC02644493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 31 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) 2.58 5.03 -50.92 1 9 -1 125 454.513 6
Mid Mid (pH 6-8) 3.50 5.59 -19.42 2 9 0 126 455.521 5

Activity (Go SEA)

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