UCSF

ZINC33790238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 4.73 11.79 -46.68 0 7 -1 95 484.557 7
Lo Low (pH 4.5-6) 4.73 10.66 -20.54 1 7 0 93 485.565 7

Activity (Go SEA)

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