UCSF

ZINC40080087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 3.44 6.26 -47.63 1 6 -1 90 435.283 6
Lo Low (pH 4.5-6) 3.44 5.51 -11.37 2 6 0 87 436.291 6

Activity (Go SEA)

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