UCSF

ZINC33814174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 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) 3.10 10.87 -59.81 0 7 -1 87 418.473 7
Lo Low (pH 4.5-6) 3.10 9.55 -19.87 1 7 0 84 419.481 7

Activity (Go SEA)

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