UCSF

ZINC03974648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 45 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) 9.29 14.12 -17.89 4 8 0 134 628.847 25
Hi High (pH 8-9.5) 9.29 14.9 -60.18 3 8 -1 136 627.839 25

Activity (Go SEA)

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