UCSF

ZINC60183402

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 40 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) 1.52 3.73 -44.45 3 11 -1 170 559.636 5
Lo Low (pH 4.5-6) -0.88 5.03 -15.93 3 11 0 164 560.644 5

Activity (Go SEA)

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