UCSF

ZINC33580958

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 36 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) 4.48 13.35 -45.18 0 8 -1 117 503.556 7
Lo Low (pH 4.5-6) 4.48 12.05 -20.14 1 8 0 114 504.564 7

Activity (Go SEA)

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