UCSF

ZINC31887037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.17 8.04 -45.2 2 4 1 44 288.415 6
Hi High (pH 8-9.5) 3.17 6.52 -7.48 1 4 0 39 287.407 6

Activity (Go SEA)

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