UCSF

ZINC30997785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 0.77 1.42 -18.11 2 8 0 109 397.478 6
Hi High (pH 8-9.5) 0.77 1.06 -46.64 1 8 -1 111 396.47 6

Activity (Go SEA)

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