UCSF

ZINC33790243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 5.23 11.43 -47.59 0 7 -1 96 473.53 7
Lo Low (pH 4.5-6) 5.23 10.3 -21.56 1 7 0 93 474.538 7

Activity (Go SEA)

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