UCSF

ZINC31912813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 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) 1.35 5.66 -54.4 3 3 1 45 218.324 2
Hi High (pH 8-9.5) 1.35 5.33 -8.14 2 3 0 43 217.316 2
Mid Mid (pH 6-8) 1.35 6.06 -96.98 4 3 2 46 219.332 2

Activity (Go SEA)

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