UCSF

ZINC36712348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 Yes

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) 6.22 14.95 -11.37 0 5 0 59 508.553 5
Lo Low (pH 4.5-6) 6.22 15.55 -34.95 1 5 1 60 509.561 5

Activity (Go SEA)

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