UCSF

ZINC09601979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 36 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) 4.31 -0.84 -17.99 2 9 0 103 482.544 7
Lo Low (pH 4.5-6) 4.31 -0.73 -49.99 3 9 1 104 483.552 7

Activity (Go SEA)

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