UCSF

ZINC22446971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 41 No

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) 9.38 18.99 -213.53 6 4 3 53 572.003 13
Hi High (pH 8-9.5) 9.38 18.56 -116.41 5 4 2 48 570.995 13

Activity (Go SEA)

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