UCSF

ZINC07652832

Substance Information

In ZINC since Heavy atoms Benign functionality
June 9th, 2006 26 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) 1.94 7.66 -58.53 2 6 1 63 356.446 7
Hi High (pH 8-9.5) 1.75 4.47 -43.2 0 6 -1 68 354.43 7
Hi High (pH 8-9.5) 1.75 6.83 -38.37 1 6 0 69 355.438 7

Activity (Go SEA)

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