UCSF

ZINC39745541

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 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) 3.77 6.67 -19.67 2 11 0 146 472.461 7
Hi High (pH 8-9.5) 3.84 4.02 -50.74 1 11 -1 153 471.453 7

Activity (Go SEA)

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