UCSF

ZINC39301470

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 3.99 14.7 -45.5 4 8 1 98 428.52 9
Mid Mid (pH 6-8) 3.99 14.18 -17.54 3 8 0 97 427.512 9
Lo Low (pH 4.5-6) 3.99 14.31 -82.01 5 8 2 99 429.528 9

Activity (Go SEA)

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