UCSF

ZINC58200968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 28 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) 2.00 4.82 -19.2 3 7 0 92 401.898 6
Lo Low (pH 4.5-6) 2.00 5.29 -47.11 4 7 1 93 402.906 6

Activity (Go SEA)

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