UCSF

ZINC06325307

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 30 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) 3.54 7.29 -53.77 0 7 -1 87 406.462 6
Lo Low (pH 4.5-6) 3.54 7.4 -58.77 1 7 0 89 407.47 6
Lo Low (pH 4.5-6) 3.09 9.85 -42.92 2 7 0 86 408.478 6

Activity (Go SEA)

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