UCSF

ZINC33815250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 0.32 9.66 -101.99 2 7 0 91 407.417 4
Hi High (pH 8-9.5) 0.32 8.54 -67.24 1 7 -1 87 406.409 4
Mid Mid (pH 6-8) 0.32 7.65 -55.21 3 7 1 88 408.425 4
Lo Low (pH 4.5-6) -2.42 8.45 -81.46 3 7 1 94 408.425 3

Activity (Go SEA)

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