UCSF

ZINC33772871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 23 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) 1.41 5.62 -61.04 4 4 1 70 336.456 8
Hi High (pH 8-9.5) 1.41 5.28 -10.13 3 4 0 68 335.448 8

Activity (Go SEA)

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