UCSF

ZINC39230486

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 1.14 8.31 -42.78 2 6 1 72 360.441 5
Mid Mid (pH 6-8) 1.14 7.86 -12.26 1 6 0 71 359.433 5
Lo Low (pH 4.5-6) 1.14 8.77 -83.01 3 6 2 74 361.449 5

Activity (Go SEA)

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