UCSF

ZINC33587411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 6.11 13.9 -30.48 2 6 1 58 458.582 8
Hi High (pH 8-9.5) 6.11 13.49 -17.1 1 6 0 57 457.574 8

Activity (Go SEA)

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