UCSF

ZINC40080037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.09 5.66 -59.31 1 9 -1 136 411.39 7
Lo Low (pH 4.5-6) 2.09 4.92 -16.24 2 9 0 133 412.398 7

Activity (Go SEA)

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