UCSF

ZINC40053951

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 2.06 3.91 -66.71 1 7 -1 99 396.419 8
Lo Low (pH 4.5-6) 2.06 3.13 -16.9 2 7 0 96 397.427 8

Activity (Go SEA)

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