UCSF

ZINC21771006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 34 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) 4.68 10.05 -20.75 1 7 0 89 493.61 8
Hi High (pH 8-9.5) 4.75 9.15 -52.6 0 7 -1 95 492.602 8

Activity (Go SEA)

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