UCSF

ZINC18067854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 26 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) 3.19 9.04 -47.04 0 5 -1 73 385.421 4
Lo Low (pH 4.5-6) 3.19 7.75 -16.69 1 5 0 71 386.429 4

Activity (Go SEA)

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