UCSF

ZINC40109541

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 3.82 9.06 -65.26 1 7 -1 99 512.991 11
Lo Low (pH 4.5-6) 3.82 8.16 -17.2 2 7 0 96 513.999 11

Activity (Go SEA)

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