UCSF

ZINC40055325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 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) 4.00 9.88 -62.8 1 8 -1 116 518.517 11
Lo Low (pH 4.5-6) 4.00 9.14 -20.25 2 8 0 113 519.525 11

Activity (Go SEA)

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