UCSF

ZINC20303711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.57 3.68 -40 3 5 1 62 296.435 9
Hi High (pH 8-9.5) 1.57 2.38 -7.46 2 5 0 58 295.427 9
Mid Mid (pH 6-8) 1.57 5.82 -110.41 4 5 2 63 297.443 9
Mid Mid (pH 6-8) 1.57 4.61 -36.05 3 5 1 59 296.435 9
Lo Low (pH 4.5-6) 1.57 5.7 -108.83 4 5 2 63 297.443 9

Activity (Go SEA)

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