UCSF

ZINC08742470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 4.94 8.48 -12.26 2 6 0 77 416.477 7
Ref Reference (pH 7) 4.94 8.43 -12.83 2 6 0 77 416.477 7
Hi High (pH 8-9.5) 4.94 9.13 -56.61 1 6 -1 79 415.469 7
Hi High (pH 8-9.5) 4.94 9.25 -47.63 1 6 -1 79 415.469 7

Activity (Go SEA)

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