UCSF

ZINC40028154

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 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) 2.54 7.69 -60.6 0 7 -1 88 406.414 6
Lo Low (pH 4.5-6) 2.54 6.95 -13.49 1 7 0 85 407.422 6

Activity (Go SEA)

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