UCSF

ZINC38907763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 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) 3.45 11.49 -14.28 0 5 0 41 410.521 5
Mid Mid (pH 6-8) 3.45 13.69 -51.65 1 5 1 43 411.529 5
Mid Mid (pH 6-8) 3.45 13.52 -37.62 1 5 1 43 411.529 5
Lo Low (pH 4.5-6) 3.45 14.34 -127.09 2 5 2 44 412.537 5

Activity (Go SEA)

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