UCSF

ZINC40401569

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 28 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) 4.75 10.44 -11.71 0 5 0 56 387.464 4
Lo Low (pH 4.5-6) 4.75 10.93 -47.11 1 5 1 58 388.472 4

Activity (Go SEA)

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