UCSF

ZINC02381352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 26 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) 3.74 5.53 -11.36 3 6 0 91 347.374 4
Hi High (pH 8-9.5) 3.74 6.31 -53.63 2 6 -1 94 346.366 4
Lo Low (pH 4.5-6) 3.74 5.86 -34.41 4 6 1 92 348.382 4

Activity (Go SEA)

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