UCSF

ZINC31965190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.81 1.64 -53.34 5 6 1 99 274.3 4
Hi High (pH 8-9.5) 0.81 1.25 -16.43 4 6 0 97 273.292 4

Activity (Go SEA)

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