UCSF

ZINC13548536

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 4.05 9.7 -53.64 0 9 -1 134 430.396 4
Lo Low (pH 4.5-6) 3.60 12.16 -14.92 1 9 0 131 431.404 4

Activity (Go SEA)

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