UCSF

ZINC41587103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.53 10.84 -11.88 0 4 0 43 453.872 3
Lo Low (pH 4.5-6) 5.53 13.71 -58.18 1 4 1 44 454.88 3

Activity (Go SEA)

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