UCSF

ZINC21814029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.59 7.34 -36.1 3 3 1 37 356.328 7
Hi High (pH 8-9.5) 3.59 7.06 -40.5 2 3 0 43 355.32 7
Mid Mid (pH 6-8) 3.59 6.28 -40.69 3 3 1 40 356.328 7

Activity (Go SEA)

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