UCSF

ZINC29124677

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 32 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) 4.89 8.47 -46.25 3 6 1 75 452.6 6
Hi High (pH 8-9.5) 4.89 8.97 -52.28 1 6 -1 73 450.584 6
Hi High (pH 8-9.5) 4.89 10.16 -69.63 2 6 0 77 451.592 6

Activity (Go SEA)

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