UCSF

ZINC15072730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 29 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) 3.75 13.54 -59.03 1 6 1 61 393.511 7
Mid Mid (pH 6-8) 3.75 13.97 -101.61 2 6 2 63 394.519 7
Lo Low (pH 4.5-6) 3.75 13.83 -115.93 2 6 2 63 394.519 7
Lo Low (pH 4.5-6) 3.75 14.26 -198.75 3 6 3 64 395.527 7

Activity (Go SEA)

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