UCSF

ZINC33828359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 4.22 10.52 -44.62 2 3 1 42 350.482 6
Hi High (pH 8-9.5) 4.22 8.27 -10.29 1 3 0 41 349.474 6

Activity (Go SEA)

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