UCSF

ZINC19634691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 2.52 6.28 -29.96 1 2 1 8 245.749 5
Hi High (pH 8-9.5) 2.52 3.77 -3.36 0 2 0 6 244.741 5
Mid Mid (pH 6-8) 2.52 6.4 -34.07 1 2 1 8 245.749 5
Lo Low (pH 4.5-6) 2.52 8.57 -100.36 2 2 2 9 246.757 5

Activity (Go SEA)

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