UCSF

ZINC01513748

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 27 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) 4.55 8.51 -18.78 2 5 0 74 355.397 3
Ref Reference (pH 7) 4.55 8.69 -12.96 2 5 0 74 355.397 3
Hi High (pH 8-9.5) 5.01 6.93 -48.49 1 5 -1 77 354.389 3
Hi High (pH 8-9.5) 5.01 6.62 -59.06 1 5 -1 77 354.389 3

Activity (Go SEA)

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