UCSF

ZINC21664312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 2.90 6.44 -50.74 4 7 1 95 445.609 8
Hi High (pH 8-9.5) 2.90 6.51 -64.98 3 7 0 97 444.601 8
Hi High (pH 8-9.5) 2.90 5.03 -15.89 3 7 0 91 444.601 8

Activity (Go SEA)

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