UCSF

ZINC38907732

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 32 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) 3.17 10.66 -14.45 0 6 0 54 490.405 5
Mid Mid (pH 6-8) 3.17 12.72 -56.26 1 6 1 55 491.413 5
Mid Mid (pH 6-8) 3.17 10.9 -36.98 1 6 1 56 491.413 5
Lo Low (pH 4.5-6) 3.17 13.01 -133.28 2 6 2 57 492.421 5

Activity (Go SEA)

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