UCSF

ZINC09264005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 1.16 7.42 -25.62 2 9 0 115 449.537 8
Lo Low (pH 4.5-6) 1.42 4.33 -50.64 3 9 1 123 450.545 8

Activity (Go SEA)

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