UCSF

ZINC07605881

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 30 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) 3.25 9.15 -17.77 2 8 0 105 421.538 6
Hi High (pH 8-9.5) 3.44 8.38 -53.99 1 8 -1 111 420.53 6

Activity (Go SEA)

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