UCSF

ZINC37188736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.40 7.19 -39 2 3 1 33 292.491 7
Hi High (pH 8-9.5) 3.40 6.55 -4.4 1 3 0 28 291.483 7
Mid Mid (pH 6-8) 3.40 9.13 -115.86 3 3 2 34 293.499 7
Mid Mid (pH 6-8) 3.40 8.39 -35.5 2 3 1 29 292.491 7
Mid Mid (pH 6-8) 3.40 8.47 -72.79 3 3 2 31 293.499 7
Lo Low (pH 4.5-6) 3.40 9.52 -188.71 4 3 3 35 294.507 7

Activity (Go SEA)

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