UCSF

ZINC40102715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 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) 6.23 13.48 -59.28 0 5 -1 70 519.415 9
Lo Low (pH 4.5-6) 6.23 12.73 -14.85 1 5 0 67 520.423 9

Activity (Go SEA)

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