UCSF

ZINC08743156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 32 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) 4.45 9.69 -67.01 0 9 -1 134 430.396 4
Lo Low (pH 4.5-6) 3.99 12.1 -21.32 1 9 0 131 431.404 4

Activity (Go SEA)

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