UCSF

ZINC40081895

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) 4.68 10.54 -59.99 0 6 -1 79 422.501 9
Lo Low (pH 4.5-6) 4.68 9.65 -12.66 1 6 0 76 423.509 9

Activity (Go SEA)

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