UCSF

ZINC35013417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.86 11.18 -131.35 4 2 2 33 320.565 6
Hi High (pH 8-9.5) 4.86 10.4 -42.2 3 2 1 29 319.557 6
Hi High (pH 8-9.5) 4.86 10.01 -35.61 3 2 1 29 319.557 6

Activity (Go SEA)

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