UCSF

ZINC39758618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 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) 5.03 7.22 -19.38 2 7 0 97 444.878 6
Hi High (pH 8-9.5) 5.10 5.1 -59.93 1 7 -1 103 443.87 6

Activity (Go SEA)

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