UCSF

ZINC20900973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 4.25 8.83 -64.53 2 5 1 63 410.991 6
Hi High (pH 8-9.5) 4.25 7.85 -47.75 1 5 0 65 409.983 6

Activity (Go SEA)

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