UCSF

ZINC33898017

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 26 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) 3.15 6.29 -13.62 2 7 0 93 376.482 7
Hi High (pH 8-9.5) 3.33 4.61 -44.65 1 7 -1 100 375.474 7

Activity (Go SEA)

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