UCSF

ZINC39301432

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.92 13.94 -45.95 3 8 1 89 406.514 8
Mid Mid (pH 6-8) 2.92 13.43 -18.34 2 8 0 88 405.506 8
Lo Low (pH 4.5-6) 2.92 14.35 -78.75 4 8 2 90 407.522 8

Activity (Go SEA)

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