UCSF

ZINC40085379

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 4.18 10.71 -53.57 0 8 -1 115 423.445 8
Lo Low (pH 4.5-6) 4.18 9.96 -14.73 1 8 0 113 424.453 8

Activity (Go SEA)

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