UCSF

ZINC58356962

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 33 Yes

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) 4.76 12.62 -15.71 1 6 0 73 433.515 5
Lo Low (pH 4.5-6) 4.76 13.08 -41.56 2 6 1 74 434.523 5

Activity (Go SEA)

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