UCSF

ZINC40125406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 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) 3.96 6.9 -46.2 1 4 -1 69 379.194 3
Lo Low (pH 4.5-6) 3.96 6.13 -8.86 2 4 0 66 380.202 3

Activity (Go SEA)

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