UCSF

ZINC14225006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 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) 3.97 4.31 -46.15 2 8 -1 124 513.404 7
Hi High (pH 8-9.5) 3.97 4.33 -104.55 1 8 -2 126 512.396 7
Lo Low (pH 4.5-6) 3.97 4.28 -18.24 3 8 0 121 514.412 7

Activity (Go SEA)

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