UCSF

ZINC31964089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) -0.21 1.32 -68 5 6 1 95 264.305 4
Hi High (pH 8-9.5) -0.21 0.94 -20.8 4 6 0 93 263.297 4

Activity (Go SEA)

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