UCSF

ZINC33760819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 5.50 14.05 -49.47 0 7 -1 95 518.574 6
Lo Low (pH 4.5-6) 5.50 12.75 -19.94 1 7 0 93 519.582 6

Activity (Go SEA)

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