UCSF

ZINC23368799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 2.28 4.33 -41.96 2 5 1 54 424.328 6
Hi High (pH 8-9.5) 2.28 1.86 -9.39 1 5 0 53 423.32 6
Mid Mid (pH 6-8) 2.28 4.2 -46.99 2 5 1 54 424.328 6

Activity (Go SEA)

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