UCSF

ZINC08694098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 28 No

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) 4.43 4.55 -11.54 2 6 0 87 371.396 4
Ref Reference (pH 7) 3.52 7.66 -15.35 2 6 0 84 371.396 4
Hi High (pH 8-9.5) 4.43 7.07 -118.41 0 6 -2 93 369.38 4
Hi High (pH 8-9.5) 4.43 6.11 -108.14 0 6 -2 93 369.38 4
Mid Mid (pH 6-8) 4.43 6.26 -59.63 1 6 -1 90 370.388 4
Mid Mid (pH 6-8) 4.43 5.32 -45.93 1 6 -1 90 370.388 4

Activity (Go SEA)

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