UCSF

ZINC03538808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 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) 2.82 7 -46.06 2 6 1 71 368.523 7
Hi High (pH 8-9.5) 2.63 3.87 -44.48 0 6 -1 76 366.507 7
Hi High (pH 8-9.5) 2.63 6.15 -32.58 1 6 0 77 367.515 7

Activity (Go SEA)

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